diff --git a/CPV/src/cp_restart_new.f90 b/CPV/src/cp_restart_new.f90
index eb26e34d7f58f2fae74d5f29aed3313c83cedea1..40a9b71b38dc13d9bf69f7524b3871beff6d17ea 100644
--- a/CPV/src/cp_restart_new.f90
+++ b/CPV/src/cp_restart_new.f90
@@ -148,8 +148,7 @@ MODULE cp_restart_new
CHARACTER(LEN=20) :: dft_name
CHARACTER(LEN=256) :: dirname
CHARACTER(LEN=320) :: filename, sourcefile
- CHARACTER(LEN=4) :: cspin
- INTEGER :: kunit, ik_eff
+ INTEGER :: ik_eff
INTEGER :: k1, k2, k3
INTEGER :: nk1, nk2, nk3
INTEGER :: j, i, iss, ig, nspin_wfc, iss_wfc
@@ -646,11 +645,8 @@ MODULE cp_restart_new
COMPLEX(DP), INTENT(INOUT) :: cm2(:,:) !
REAL(DP), INTENT(INOUT) :: wfc(:,:) ! BS
!
- CHARACTER(LEN=256) :: dirname, kdirname, filename
- CHARACTER(LEN=5) :: kindex
- CHARACTER(LEN=4) :: cspin
+ CHARACTER(LEN=256) :: dirname, filename
INTEGER :: strlen
- INTEGER :: kunit
INTEGER :: k1, k2, k3
INTEGER :: nk1, nk2, nk3
INTEGER :: i, j, iss, ig, nspin_wfc, ierr, ik
diff --git a/CPV/src/make.depend b/CPV/src/make.depend
index 43a51444e6192430856ba224174fadadcd251c1a..951d3cfa92a060c7bf59841f204854170e84e244 100644
--- a/CPV/src/make.depend
+++ b/CPV/src/make.depend
@@ -702,13 +702,17 @@ makov_payne.o : ../../UtilXlib/mp.o
makov_payne.o : ../../UtilXlib/parallel_include.o
makov_payne.o : ions_positions.o
makov_payne.o : mainvar.o
+manycp.o : ../../LAXlib/mp_diag.o
manycp.o : ../../Modules/check_stop.o
manycp.o : ../../Modules/command_line_options.o
manycp.o : ../../Modules/environment.o
manycp.o : ../../Modules/input_parameters.o
manycp.o : ../../Modules/io_global.o
+manycp.o : ../../Modules/mp_bands.o
manycp.o : ../../Modules/mp_global.o
manycp.o : ../../Modules/mp_images.o
+manycp.o : ../../Modules/mp_pools.o
+manycp.o : ../../Modules/mp_world.o
manycp.o : ../../Modules/read_input.o
manycp.o : input.o
metaxc.o : ../../Modules/funct.o
diff --git a/Doc/brillouin_zones.pdf b/Doc/brillouin_zones.pdf
index 3a927ae8aebf2cc17299622029d127dbdc1a5c18..c75b3fb044e0f9b0425c52d2a24e9d651c2d005a 100644
Binary files a/Doc/brillouin_zones.pdf and b/Doc/brillouin_zones.pdf differ
diff --git a/Doc/brillouin_zones.tex b/Doc/brillouin_zones.tex
index 7dafad61a31cacb3ce838184c6c5f83345615a0b..7ef97274296abbe15246fba3b5362b631c7f456b 100644
--- a/Doc/brillouin_zones.tex
+++ b/Doc/brillouin_zones.tex
@@ -50,6 +50,7 @@ calculation to define paths in the BZ. This feature is available with
the option \texttt{tpiba\_b} or \texttt{crystal\_b} in a \texttt{'bands'}
calculation or with the option \texttt{q\_in\_band\_form} in the input of the
\texttt{matdyn.x} code.
+BEWARE: you need to explicitly specify \texttt{ibrav} to use this feature.
Lines in reciprocal space are defined by giving the coordinates of the
starting and ending points and the number of points of each line.
The coordinates of the starting and ending points can be
diff --git a/Doc/developer_man.pdf b/Doc/developer_man.pdf
index 9785c3e7a2145399255d32195527b9b0d0458177..3683f05ed58081e58c21b6092cc99ebe4fc206ee 100644
Binary files a/Doc/developer_man.pdf and b/Doc/developer_man.pdf differ
diff --git a/Doc/developer_man.tex b/Doc/developer_man.tex
index 335abdc84e2fd1733f9156e86041d030331216c1..1939276d7f5791c3a4445b2db5bdc38a3825e062 100644
--- a/Doc/developer_man.tex
+++ b/Doc/developer_man.tex
@@ -1,5 +1,5 @@
\documentclass[12pt,a4paper]{article}
-\def\version{6.4}
+\def\version{6.4.1}
\def\QE{{\sc Quantum ESPRESSO}}
\def\qe{QE}
\textwidth = 17cm
@@ -1194,8 +1194,9 @@ may save hours of searching into the code for a piece of missing information.
complain if the latter \& is missing, others do.
% Another example: empty strings are nonstandard,
% use \texttt{empty='~'}, not \texttt{empty=''}.
-\item do not (yet) use F2008 syntax. Stick to F2003 at most (for now).
- \qe\ must work even if you do not have the latest and the greatest compiler.
+\item try to stick to F2003 standard: \qe\ must work even if you do not have
+ the latest and the greatest compiler. Use F2008 syntax only if really
+ useful, and after verifying that it doesn't break too many compilers.
\item use "dp" (defined in module ''kinds'') to define the type of real and
complex variables
\item all constants should be defined to be of kind "dp". Preferred syntax:
@@ -1210,7 +1211,7 @@ double precision complex number).
\item Do not use automatic arrays (e.g. \texttt{REAL(dp) :: A(N)} with
\texttt{N} defined at run time) unless you are sure that the array is
small in all cases: large arrays may easily exceed the stack size,
-or the memory size,
+or the memory size.
\item Do not use pointers unless you have a good reason to:
pointers may hinder optimization. Allocatable arrays should be used instead.
\item If you use pointers, nullify them before performing tests on their
@@ -1224,9 +1225,12 @@ array sections. Passing an array section to a routine may look elegant
but it may turn out to be inefficient: a copy will be silently done
if the section is not contiguous in memory (or if the compiler
decides it is the right thing to do), increasing the memory footprint.
-\item Do not pass unallocated arrays as arguments, even in those cases where
-they are not actually used inside the subroutine: some compilers don't
-like it.
+\item Do not pass unallocated arrays or pointers as non-optional arguments,
+even in those cases where they are not actually used inside the subroutine:
+some compilers don't like it. Also note that if passed as optional argument
+--provided the argument has not the pointer or allocatable attribute--
+unallocated arrays or pointers are interpreted as non present (this is a
+F2008 feature, already used since v.6.4).
\item Do not use any construct that is susceptible to be flagged as
out-of-bounds error, even if no actual out-of-bound error takes place.
\item Always use IMPLICIT NONE and declare all local variables.
diff --git a/Doc/release-notes b/Doc/release-notes
index d893a6bf633d8aae524bdd79004e2ebf9e84ac3f..af525b8c1452aecfe9c4d6e8db93f4904c952a3f 100644
--- a/Doc/release-notes
+++ b/Doc/release-notes
@@ -1,3 +1,21 @@
+New in 6.4.1 branch :
+ * A warning is issued if the lattice parameter seems to be a conversion
+ factor instead of a true lattice parameter. Conversion should be achieved
+ with the appropriate options, not with dirty tricks. In the future this
+ will no longer be allowed
+ * A warning is issued if ibrav=0 is used for systems having symmetry. If not
+ properly done this may lead to strange problems with symmetry detection
+ and symmetrization. Lattice information should be used if available.
+
+Problems fixed in 6.4.1 branch :
+ * Two bugs fixed in HP: 1) the code was not working correctly when fractional
+ translations were present, 2) there was a bug in the case when either there
+ is only one k point, or when k pools are used and some of the pools have
+ only one k point.
+ * Restart of ph.x with 2D boundary conditions has been fixed (see gitlab
+ issue #102)
+ * XML file correctly written if tetrahedra are used (see gitlab issue #103)
+
New in version 6.4:
* Experimental version of SCDM localization with k-points, activated like for
k=0 by specifying in &system namelist a value > 0 for "localization_thr".
@@ -17,6 +35,8 @@ New in version 6.4:
* XDM now works also for USPP and norm-conserving PP
Problems fixed in version 6.4 (+ = in qe-6.3-backports as well) :
+ + Codes reading scf data recomputed celldm parameters also if ibrav=0
+ This produced confusing output and had the potential to break some codes
+ index not correctly initialized in LSDA phonon with core corrections
+ GTH pseudopotentials in analytical form wrongly computed in some cases
+ projwfc.x not working with new xml format in noncolinear/spinorbit case
@@ -55,6 +75,8 @@ Incompatible changes in version 6.4 version:
Known problems in version 6.4:
* Frequent "dexx is negative" errors with hybrid functionals
+ * restart of ph.x when using 2D boundary conditions fails see issue#102 on gitLab
+ * the band_structure element is printed incompletely if tetrahedra are used for sums in the IBZ, see issue #103.
New in 6.3 version:
* New implementation, using a more robust algorithm for the Wigner-Seitz
diff --git a/Doc/user_guide.pdf b/Doc/user_guide.pdf
index 6b5adaec59206f45a631efa60adbf79a2815905e..1a486d12c6fa3541d781f509e9a4127008a2206f 100644
Binary files a/Doc/user_guide.pdf and b/Doc/user_guide.pdf differ
diff --git a/Doc/user_guide.tex b/Doc/user_guide.tex
index 855df600af43bfabd873c3947767496bc55f2df5..282495773e3bf844ed18a033ebe43fd20dd1b863 100644
--- a/Doc/user_guide.tex
+++ b/Doc/user_guide.tex
@@ -1,5 +1,5 @@
\documentclass[12pt,a4paper]{article}
-\def\version{6.4}
+\def\version{6.4.1}
\def\qe{{\sc Quantum ESPRESSO}}
\usepackage{html}
@@ -407,7 +407,9 @@ may break them. Use \texttt{export LC\_ALL=C} (sh/bash) or
when running scripts (including installation scripts).
Second, you need C and Fortran compilers, compliant with C89 and
-F2003 standards. For parallel
+F2003 standards\footnote{since v.6.4 a standard 2008 feature is
+used: if unallocated pointers are passed as optional arguments,
+they are interpreted as not present}. For parallel
execution, you will also need MPI libraries and a parallel
(i.e. MPI-aware) compiler. For massively parallel machines, or
for simple multicore parallelization, an OpenMP-aware compiler
@@ -945,6 +947,7 @@ the last written output file to understand why.
\begin{itemize}
\item
Working Fortran and C compilers, compliant with F2003 and C89 standards
+(see Sec.\ref{Sec:Installation})
respectively, are needed in order to compile \qe. Most recent Fortran
compilers will do the job.
@@ -1109,6 +1112,10 @@ add preprocessing option \texttt{-Dzdotc=zdotc\_wrapper} to \texttt{DFLAGS}.
\paragraph{Linux PCs with Intel compiler (ifort)}
+IMPORTANT NOTE: ifort versions earlier than v.15 miscompile the new
+XML code in QE v.6.4 and later. Please install this patch:\\
+\texttt{https://gitlab.com/QEF/q-e/wikis/Support/Patch-for-old-Intel-compilers}.
+
The Intel compiler ifort \texttt{http://software.intel.com/}
produces fast executables, at least on Intel CPUs, but not all versions
work as expected. In case of trouble, update your version
@@ -1132,8 +1139,6 @@ The warning: {\em feupdateenv is not implemented and will always fail},
can be safely ignored. Warnings on ``bad preprocessing option'' when compiling
iotk and complains about ``recommended formats'' may also be ignored.
-Versions v.12 and earlier of ifort are no longer supported by QE v.\version.
-
\paragraph{Linux PCs with MKL libraries}
On Intel CPUs it is very convenient to use Intel MKL libraries
(freely available at
diff --git a/EPW/bin/pp-xml.py b/EPW/bin/pp-xml.py
new file mode 100644
index 0000000000000000000000000000000000000000..0864e4f4caf1819ceb5f0894d86bdacfca3799a7
--- /dev/null
+++ b/EPW/bin/pp-xml.py
@@ -0,0 +1,317 @@
+#!/usr/bin/python
+#
+# Post-processing script from of PH data in format used by EPW
+# 14/07/2015 - Creation of the script - Samuel Ponce
+# 14/03/2018 - Automatically reads the number of q-points - Michael Waters
+# 14/03/2018 - Detect if SOC is included in the calculation - Samuel Ponce
+# 13/11/2018 - Write dyn files in xml format for SOC case - Shunhong Zhang (USTC)
+#
+import numpy as np
+import os
+from xml.dom import minidom
+
+# Convert the dyn files to the xml form, for SOC case - Shunhong Zhang (USTC)
+def dyn2xml(prefix):
+ ndyn=int(os.popen('head -2 {0}.dyn0|tail -1'.format(prefix)).read())
+ for idyn in range(1,ndyn+1):
+ print '{0}.dyn{1} to {0}.dyn_q{1}.xml'.format(prefix,idyn)
+ dynmat=dyn(prefix,idyn)
+ dynmat._write_xml()
+def get_geom_info():
+ if os.path.isfile('ph.out')==False:
+ print 'cannot extract geometry info from ph.out'
+ return 1
+ else:
+ volm=float(os.popen('grep -a volume ph.out 2>/dev/null|tail -1').readline().split()[-2])
+ get_at=os.popen('grep -a -A 3 "crystal axes" ph.out 2>/dev/null|tail -3').readlines()
+ at=np.array([[float(item) for item in line.split()[3:6]] for line in get_at])
+ get_bg=os.popen('grep -a -A 3 "reciprocal axes" ph.out 2>/dev/null|tail -3').readlines()
+ bg=np.array([[float(item) for item in line.split()[3:6]] for line in get_bg])
+ return volm,at,bg
+
+class dyn(object):
+ def __init__(self,prefix,idyn):
+ self._prefix=prefix
+ self._idyn=idyn
+ fil='{0}.dyn{1}'.format(prefix,idyn)
+ f=open(fil)
+ self._comment=f.readline()
+ f.readline()
+ line=f.readline().split()
+ self._ntype=int(line[0])
+ self._natom=int(line[1])
+ self._ibrav=int(line[2])
+ self._nspin=1
+ self._cell_dim=np.array([float(ii) for ii in line[3:]])
+ self._volm=0
+ self._at=np.zeros((3,3),float)
+ self._bg=np.zeros((3,3),float)
+ try: self._volm,self._at,self._bg = get_geom_info()
+ except: print 'warning: lattice info not found'
+ self._species=[];
+ self._mass=[]
+ for i in range(self._ntype):
+ line=f.readline().split()
+ self._species.append(line[1].strip("'"))
+ self._mass.append(float(line[-1])/911.4442) # normalize to atomic mass
+ self._atom_type=np.zeros(self._natom,int)
+ self._pos=np.zeros((self._natom,3),float)
+ for i in range(self._natom):
+ line=f.readline().split()
+ self._atom_type[i]=int(line[1])
+ for j in range(3): self._pos[i,j]=float(line[j+2])
+ self._nqpt=int(os.popen('grep -c "Dynamical Matrix" {0}'.format(fil)).read().split()[0])
+ self._qpt=[]
+ self._dynmat=np.zeros((self._nqpt,self._natom,self._natom,3,3,2),float)
+ f.readline()
+ for iqpt in range(self._nqpt):
+ f.readline();
+ f.readline()
+ line=f.readline().split()
+ self._qpt.append(np.array([float(item) for item in line[3:6]]))
+ f.readline()
+ for i in range(self._natom):
+ for j in range(self._natom):
+ f.readline()
+ data=np.fromfile(f,sep=' ',count=18,dtype=float).reshape(3,3,2)
+ self._dynmat[iqpt,i,j]=data
+ self._qpt=np.array(self._qpt)
+ for i in range(5): f.readline()
+ self._freq=np.zeros((self._natom*3,2),float)
+ self._disp=np.zeros((self._natom*3,self._natom,3,2),float)
+ for i in range(self._natom*3):
+ line=f.readline().split()
+ self._freq[i,0]=float(line[4])
+ self._freq[i,1]=float(line[7])
+ for j in range(self._natom):
+ line=f.readline().split()[1:-1]
+ data=np.array([float(item) for item in line]).reshape(3,2)
+ self._disp[i,j]=data
+
+ def _write_xml(self):
+ doc=minidom.Document()
+ root = doc.createElement('Root')
+ doc.appendChild(root)
+ geom_info=doc.createElement('GEOMETRY_INFO')
+ tags=('NUMBER_OF_TYPES','NUMBER_OF_ATOMS','BRAVAIS_LATTICE_INDEX','SPIN_COMPONENTS')
+ numbers=(self._ntype,self._natom,self._ibrav,self._nspin)
+ for i,(tag,num) in enumerate(zip(tags,numbers)):
+ inode=doc.createElement(tag)
+ inode.setAttribute('type','integer')
+ inode.setAttribute('size','1')
+ inode.text=num
+ inode.appendChild(doc.createTextNode(str(num)))
+ geom_info.appendChild(inode)
+ cell_dim=doc.createElement('CELL_DIMENSIONS')
+ cell_dim.setAttribute('type','real')
+ cell_dim.setAttribute('size','6')
+ for i in range(6):
+ cell_dim.appendChild(doc.createTextNode('{0:16.10f}'.format(self._cell_dim[i])))
+ geom_info.appendChild(cell_dim)
+ tags=['AT','BG']
+ for tag,lat in zip(tags,(self._at,self._bg)):
+ inode=doc.createElement(tag)
+ inode.setAttribute('type','real')
+ inode.setAttribute('size','9')
+ inode.setAttribute('columns','3')
+ for i in range(3):
+ text=' '.join(['{0:16.10f}'.format(item) for item in lat[i]])
+ inode.appendChild(doc.createTextNode(text))
+ geom_info.appendChild(inode)
+ volm=doc.createElement('UNIT_CELL_VOLUME_AU')
+ volm.setAttribute('type','real')
+ volm.setAttribute('size','1')
+ volm.appendChild(doc.createTextNode('{0:16.10f}'.format(self._volm)))
+ geom_info.appendChild(volm)
+ for itype in range(self._ntype):
+ nt=doc.createElement('TYPE_NAME.{0}'.format(itype+1))
+ nt.setAttribute('type','character')
+ nt.setAttribute('size','1')
+ nt.setAttribute('len','3')
+ nt.appendChild(doc.createTextNode('{0}'.format(self._species[itype])))
+ na=doc.createElement('MASS.{0}'.format(itype+1))
+ na.setAttribute('type','real')
+ na.setAttribute('size','1')
+ na.appendChild(doc.createTextNode('{0:16.10f}'.format(self._mass[itype])))
+ geom_info.appendChild(nt)
+ geom_info.appendChild(na)
+ for iat in range(self._natom):
+ at=doc.createElement('ATOM.{0}'.format(iat+1))
+ at.setAttribute('SPECIES','{0}'.format(self._species[self._atom_type[iat]-1]))
+ at.setAttribute('INDEX',str(iat+1))
+ pos=' '.join(['{0:16.10f}'.format(item) for item in self._pos[iat]])
+ at.setAttribute('TAU',pos)
+ geom_info.appendChild(at)
+ nqpt=doc.createElement('NUMBER_OF_Q')
+ nqpt.setAttribute('type','integer')
+ nqpt.setAttribute('size','1')
+ nqpt.appendChild(doc.createTextNode(str(self._nqpt)))
+ geom_info.appendChild(nqpt)
+ root.appendChild(geom_info)
+ for iqpt in range(self._nqpt):
+ dynmat=doc.createElement('DYNAMICAL_MAT_.{0}'.format(iqpt+1))
+ qpt=doc.createElement('Q_POINT')
+ qpt.setAttribute('type','real')
+ qpt.setAttribute('size','3')
+ qpt.setAttribute('columns','3')
+ tnode=doc.createTextNode(' '.join(['{0:16.10f}'.format(item) for item in self._qpt[iqpt]]))
+ qpt.appendChild(tnode)
+ dynmat.appendChild(qpt)
+ for iat in range(self._natom):
+ for jat in range(self._natom):
+ ph=doc.createElement('PHI.{0}.{1}'.format(iat+1,jat+1))
+ ph.setAttribute('type','complex')
+ ph.setAttribute('size','9')
+ ph.setAttribute('columns','3')
+ for i in range(3):
+ for j in range(3):
+ text='{0:16.10f} {1:16.10f}'.format(self._dynmat[iqpt,iat,jat,i,j,0],self._dynmat[iqpt,iat,jat,i,j,1])
+ ph.appendChild(doc.createTextNode(text))
+ dynmat.appendChild(ph)
+ root.appendChild(dynmat)
+ mode=doc.createElement('FREQUENCIES_THZ_CMM1')
+ for iomega in range(self._natom*3):
+ inode=doc.createElement('OMEGA.{0}'.format(iomega+1))
+ inode.setAttribute('type','real')
+ inode.setAttribute('size','2')
+ inode.setAttribute('columns','2')
+ inode.appendChild(doc.createTextNode('{0:16.10f} {1:16.10f}'.format(self._freq[iomega,0],self._freq[iomega,1])))
+ idisp=doc.createElement('DISPLACEMENT.{0}'.format(iomega+1))
+ idisp.setAttribute('tpye','complex')
+ idisp.setAttribute('size','3')
+ for iat in range(self._natom):
+ for j in range(3):
+ tnode=doc.createTextNode('{0:16.10f} {1:16.10f}'.format(self._disp[iomega,iat,j,0],self._disp[iomega,iat,j,1]))
+ idisp.appendChild(tnode)
+ mode.appendChild(inode)
+ mode.appendChild(idisp)
+ root.appendChild(mode)
+ fp = open('{0}.dyn_q{1}.xml'.format(self._prefix,self._idyn), 'w')
+ doc.writexml(fp, addindent=' ', newl='\n')
+
+# Return the number of q-points in the IBZ
+def get_nqpt(prefix):
+ fname = '_ph0/' +prefix+'.phsave/control_ph.xml'
+
+ fid = open(fname,'r')
+ lines = fid.readlines() # these files are relatively small so reading the whole thing shouldn't be an issue
+ fid.close()
+
+ line_number_of_nqpt = 0
+ while 'NUMBER_OF_Q_POINTS' not in lines[line_number_of_nqpt]: # increment to line of interest
+ line_number_of_nqpt +=1
+ line_number_of_nqpt +=1 # its on the next line after that text
+
+ nqpt = int(lines[line_number_of_nqpt])
+
+ return nqpt
+
+# Check if the calculation include SOC
+def hasSOC(prefix):
+ fname = prefix+'.save/data-file-schema.xml'
+
+ xmldoc = minidom.parse(fname)
+ item = xmldoc.getElementsByTagName('spinorbit')[0]
+ lSOC = item.childNodes[0].data
+
+ return lSOC
+
+# Check if the calculation was done in sequential
+def isSEQ(prefix):
+ fname = '_ph0/'+str(prefix)+'.dvscf'
+ if (os.path.isfile(fname)):
+ lseq = True
+ else:
+ lseq = False
+
+ return lseq
+
+# Enter the number of irr. q-points
+user_input = raw_input('Enter the prefix used for PH calculations (e.g. diam)\n')
+prefix = str(user_input)
+
+# Test if SOC
+SOC = hasSOC(prefix)
+
+# If SOC detected, but dyn is not in XML and we want to convert it
+if SOC=='true':
+ user_input = raw_input('Calculation with SOC detected. Do you want to convert dyn in XML format [y/n]?\n')
+ if str(user_input) == 'y':
+ dyn2xml(prefix)
+ os.system('mv {0}.dyn*.xml save'.format(prefix))
+
+# If no SOC detected, do you want to convert into XML format
+if SOC=='false':
+ user_input = raw_input('Calculation without SOC detected. Do you want to convert to xml anyway [y/n]?\n')
+ if str(user_input) == 'y':
+ SOC = 'true'
+ dyn2xml(prefix)
+ os.system('mv {0}.dyn*.xml save'.format(prefix))
+
+# Test if seq. or parallel run
+SEQ = isSEQ(prefix)
+
+if True: # this gets the nqpt from the outputfiles
+ nqpt = get_nqpt(prefix)
+
+else:
+ # Enter the number of irr. q-points
+ user_input = raw_input('Enter the number of irreducible q-points\n')
+ nqpt = user_input
+ try:
+ nqpt = int(user_input)
+ except ValueError:
+ raise Exception('The value you enter is not an integer!')
+
+os.system('mkdir save 2>/dev/null')
+
+for iqpt in np.arange(1,nqpt+1):
+ label = str(iqpt)
+
+ # Case calculation in seq.
+ if SEQ:
+ # Case with SOC
+ if SOC == 'true':
+ os.system('cp '+prefix+'.dyn0 '+prefix+'.dyn0.xml')
+ os.system('cp '+prefix+'.dyn'+str(iqpt)+'.xml save/'+prefix+'.dyn_q'+label+'.xml')
+ if (iqpt == 1):
+ os.system('cp _ph0/'+prefix+'.dvscf* save/'+prefix+'.dvscf_q'+label)
+ os.system('cp -r _ph0/'+prefix+'.phsave save/')
+ os.system('cp '+prefix+'.fc.xml save/ifc.q2r.xml')
+ else:
+ os.system('cp _ph0/'+prefix+'.q_'+str(iqpt)+'/'+prefix+'.dvscf* save/'+prefix+'.dvscf_q'+label)
+ os.system('rm _ph0/'+prefix+'.q_'+str(iqpt)+'/*wfc*' )
+ # Case without SOC
+ if SOC == 'false':
+ os.system('cp '+prefix+'.dyn'+str(iqpt)+' save/'+prefix+'.dyn_q'+label)
+ if (iqpt == 1):
+ os.system('cp _ph0/'+prefix+'.dvscf save/'+prefix+'.dvscf_q'+label)
+ os.system('cp -r _ph0/'+prefix+'.phsave save/')
+ os.system('cp '+prefix+'.fc save/ifc.q2r')
+ else:
+ os.system('cp _ph0/'+prefix+'.q_'+str(iqpt)+'/'+prefix+'.dvscf save/'+prefix+'.dvscf_q'+label)
+ os.system('rm _ph0/'+prefix+'.q_'+str(iqpt)+'/*wfc*' )
+
+ else:
+ # Case with SOC
+ if SOC == 'true':
+ os.system('cp '+prefix+'.dyn0 '+prefix+'.dyn0.xml')
+ os.system('cp '+prefix+'.dyn'+str(iqpt)+'.xml save/'+prefix+'.dyn_q'+label+'.xml')
+ if (iqpt == 1):
+ os.system('cp _ph0/'+prefix+'.dvscf1 save/'+prefix+'.dvscf_q'+label)
+ os.system('cp -r _ph0/'+prefix+'.phsave save/')
+ os.system('cp '+prefix+'.fc.xml save/ifc.q2r.xml')
+ else:
+ os.system('cp _ph0/'+prefix+'.q_'+str(iqpt)+'/'+prefix+'.dvscf1 save/'+prefix+'.dvscf_q'+label)
+ os.system('rm _ph0/'+prefix+'.q_'+str(iqpt)+'/*wfc*' )
+ # Case without SOC
+ if SOC == 'false':
+ os.system('cp '+prefix+'.dyn'+str(iqpt)+' save/'+prefix+'.dyn_q'+label)
+ if (iqpt == 1):
+ os.system('cp _ph0/'+prefix+'.dvscf1 save/'+prefix+'.dvscf_q'+label)
+ os.system('cp -r _ph0/'+prefix+'.phsave save/')
+ os.system('cp '+prefix+'.fc save/ifc.q2r')
+ else:
+ os.system('cp _ph0/'+prefix+'.q_'+str(iqpt)+'/'+prefix+'.dvscf1 save/'+prefix+'.dvscf_q'+label)
+ os.system('rm _ph0/'+prefix+'.q_'+str(iqpt)+'/*wfc*' )
+
diff --git a/EPW/bin/pp.py b/EPW/bin/pp.py
index 0864e4f4caf1819ceb5f0894d86bdacfca3799a7..b7d0d98038477712a9107340baacdf35b30b5833 100644
--- a/EPW/bin/pp.py
+++ b/EPW/bin/pp.py
@@ -4,191 +4,11 @@
# 14/07/2015 - Creation of the script - Samuel Ponce
# 14/03/2018 - Automatically reads the number of q-points - Michael Waters
# 14/03/2018 - Detect if SOC is included in the calculation - Samuel Ponce
-# 13/11/2018 - Write dyn files in xml format for SOC case - Shunhong Zhang (USTC)
#
import numpy as np
import os
from xml.dom import minidom
-# Convert the dyn files to the xml form, for SOC case - Shunhong Zhang (USTC)
-def dyn2xml(prefix):
- ndyn=int(os.popen('head -2 {0}.dyn0|tail -1'.format(prefix)).read())
- for idyn in range(1,ndyn+1):
- print '{0}.dyn{1} to {0}.dyn_q{1}.xml'.format(prefix,idyn)
- dynmat=dyn(prefix,idyn)
- dynmat._write_xml()
-def get_geom_info():
- if os.path.isfile('ph.out')==False:
- print 'cannot extract geometry info from ph.out'
- return 1
- else:
- volm=float(os.popen('grep -a volume ph.out 2>/dev/null|tail -1').readline().split()[-2])
- get_at=os.popen('grep -a -A 3 "crystal axes" ph.out 2>/dev/null|tail -3').readlines()
- at=np.array([[float(item) for item in line.split()[3:6]] for line in get_at])
- get_bg=os.popen('grep -a -A 3 "reciprocal axes" ph.out 2>/dev/null|tail -3').readlines()
- bg=np.array([[float(item) for item in line.split()[3:6]] for line in get_bg])
- return volm,at,bg
-
-class dyn(object):
- def __init__(self,prefix,idyn):
- self._prefix=prefix
- self._idyn=idyn
- fil='{0}.dyn{1}'.format(prefix,idyn)
- f=open(fil)
- self._comment=f.readline()
- f.readline()
- line=f.readline().split()
- self._ntype=int(line[0])
- self._natom=int(line[1])
- self._ibrav=int(line[2])
- self._nspin=1
- self._cell_dim=np.array([float(ii) for ii in line[3:]])
- self._volm=0
- self._at=np.zeros((3,3),float)
- self._bg=np.zeros((3,3),float)
- try: self._volm,self._at,self._bg = get_geom_info()
- except: print 'warning: lattice info not found'
- self._species=[];
- self._mass=[]
- for i in range(self._ntype):
- line=f.readline().split()
- self._species.append(line[1].strip("'"))
- self._mass.append(float(line[-1])/911.4442) # normalize to atomic mass
- self._atom_type=np.zeros(self._natom,int)
- self._pos=np.zeros((self._natom,3),float)
- for i in range(self._natom):
- line=f.readline().split()
- self._atom_type[i]=int(line[1])
- for j in range(3): self._pos[i,j]=float(line[j+2])
- self._nqpt=int(os.popen('grep -c "Dynamical Matrix" {0}'.format(fil)).read().split()[0])
- self._qpt=[]
- self._dynmat=np.zeros((self._nqpt,self._natom,self._natom,3,3,2),float)
- f.readline()
- for iqpt in range(self._nqpt):
- f.readline();
- f.readline()
- line=f.readline().split()
- self._qpt.append(np.array([float(item) for item in line[3:6]]))
- f.readline()
- for i in range(self._natom):
- for j in range(self._natom):
- f.readline()
- data=np.fromfile(f,sep=' ',count=18,dtype=float).reshape(3,3,2)
- self._dynmat[iqpt,i,j]=data
- self._qpt=np.array(self._qpt)
- for i in range(5): f.readline()
- self._freq=np.zeros((self._natom*3,2),float)
- self._disp=np.zeros((self._natom*3,self._natom,3,2),float)
- for i in range(self._natom*3):
- line=f.readline().split()
- self._freq[i,0]=float(line[4])
- self._freq[i,1]=float(line[7])
- for j in range(self._natom):
- line=f.readline().split()[1:-1]
- data=np.array([float(item) for item in line]).reshape(3,2)
- self._disp[i,j]=data
-
- def _write_xml(self):
- doc=minidom.Document()
- root = doc.createElement('Root')
- doc.appendChild(root)
- geom_info=doc.createElement('GEOMETRY_INFO')
- tags=('NUMBER_OF_TYPES','NUMBER_OF_ATOMS','BRAVAIS_LATTICE_INDEX','SPIN_COMPONENTS')
- numbers=(self._ntype,self._natom,self._ibrav,self._nspin)
- for i,(tag,num) in enumerate(zip(tags,numbers)):
- inode=doc.createElement(tag)
- inode.setAttribute('type','integer')
- inode.setAttribute('size','1')
- inode.text=num
- inode.appendChild(doc.createTextNode(str(num)))
- geom_info.appendChild(inode)
- cell_dim=doc.createElement('CELL_DIMENSIONS')
- cell_dim.setAttribute('type','real')
- cell_dim.setAttribute('size','6')
- for i in range(6):
- cell_dim.appendChild(doc.createTextNode('{0:16.10f}'.format(self._cell_dim[i])))
- geom_info.appendChild(cell_dim)
- tags=['AT','BG']
- for tag,lat in zip(tags,(self._at,self._bg)):
- inode=doc.createElement(tag)
- inode.setAttribute('type','real')
- inode.setAttribute('size','9')
- inode.setAttribute('columns','3')
- for i in range(3):
- text=' '.join(['{0:16.10f}'.format(item) for item in lat[i]])
- inode.appendChild(doc.createTextNode(text))
- geom_info.appendChild(inode)
- volm=doc.createElement('UNIT_CELL_VOLUME_AU')
- volm.setAttribute('type','real')
- volm.setAttribute('size','1')
- volm.appendChild(doc.createTextNode('{0:16.10f}'.format(self._volm)))
- geom_info.appendChild(volm)
- for itype in range(self._ntype):
- nt=doc.createElement('TYPE_NAME.{0}'.format(itype+1))
- nt.setAttribute('type','character')
- nt.setAttribute('size','1')
- nt.setAttribute('len','3')
- nt.appendChild(doc.createTextNode('{0}'.format(self._species[itype])))
- na=doc.createElement('MASS.{0}'.format(itype+1))
- na.setAttribute('type','real')
- na.setAttribute('size','1')
- na.appendChild(doc.createTextNode('{0:16.10f}'.format(self._mass[itype])))
- geom_info.appendChild(nt)
- geom_info.appendChild(na)
- for iat in range(self._natom):
- at=doc.createElement('ATOM.{0}'.format(iat+1))
- at.setAttribute('SPECIES','{0}'.format(self._species[self._atom_type[iat]-1]))
- at.setAttribute('INDEX',str(iat+1))
- pos=' '.join(['{0:16.10f}'.format(item) for item in self._pos[iat]])
- at.setAttribute('TAU',pos)
- geom_info.appendChild(at)
- nqpt=doc.createElement('NUMBER_OF_Q')
- nqpt.setAttribute('type','integer')
- nqpt.setAttribute('size','1')
- nqpt.appendChild(doc.createTextNode(str(self._nqpt)))
- geom_info.appendChild(nqpt)
- root.appendChild(geom_info)
- for iqpt in range(self._nqpt):
- dynmat=doc.createElement('DYNAMICAL_MAT_.{0}'.format(iqpt+1))
- qpt=doc.createElement('Q_POINT')
- qpt.setAttribute('type','real')
- qpt.setAttribute('size','3')
- qpt.setAttribute('columns','3')
- tnode=doc.createTextNode(' '.join(['{0:16.10f}'.format(item) for item in self._qpt[iqpt]]))
- qpt.appendChild(tnode)
- dynmat.appendChild(qpt)
- for iat in range(self._natom):
- for jat in range(self._natom):
- ph=doc.createElement('PHI.{0}.{1}'.format(iat+1,jat+1))
- ph.setAttribute('type','complex')
- ph.setAttribute('size','9')
- ph.setAttribute('columns','3')
- for i in range(3):
- for j in range(3):
- text='{0:16.10f} {1:16.10f}'.format(self._dynmat[iqpt,iat,jat,i,j,0],self._dynmat[iqpt,iat,jat,i,j,1])
- ph.appendChild(doc.createTextNode(text))
- dynmat.appendChild(ph)
- root.appendChild(dynmat)
- mode=doc.createElement('FREQUENCIES_THZ_CMM1')
- for iomega in range(self._natom*3):
- inode=doc.createElement('OMEGA.{0}'.format(iomega+1))
- inode.setAttribute('type','real')
- inode.setAttribute('size','2')
- inode.setAttribute('columns','2')
- inode.appendChild(doc.createTextNode('{0:16.10f} {1:16.10f}'.format(self._freq[iomega,0],self._freq[iomega,1])))
- idisp=doc.createElement('DISPLACEMENT.{0}'.format(iomega+1))
- idisp.setAttribute('tpye','complex')
- idisp.setAttribute('size','3')
- for iat in range(self._natom):
- for j in range(3):
- tnode=doc.createTextNode('{0:16.10f} {1:16.10f}'.format(self._disp[iomega,iat,j,0],self._disp[iomega,iat,j,1]))
- idisp.appendChild(tnode)
- mode.appendChild(inode)
- mode.appendChild(idisp)
- root.appendChild(mode)
- fp = open('{0}.dyn_q{1}.xml'.format(self._prefix,self._idyn), 'w')
- doc.writexml(fp, addindent=' ', newl='\n')
-
# Return the number of q-points in the IBZ
def get_nqpt(prefix):
fname = '_ph0/' +prefix+'.phsave/control_ph.xml'
@@ -233,21 +53,6 @@ prefix = str(user_input)
# Test if SOC
SOC = hasSOC(prefix)
-# If SOC detected, but dyn is not in XML and we want to convert it
-if SOC=='true':
- user_input = raw_input('Calculation with SOC detected. Do you want to convert dyn in XML format [y/n]?\n')
- if str(user_input) == 'y':
- dyn2xml(prefix)
- os.system('mv {0}.dyn*.xml save'.format(prefix))
-
-# If no SOC detected, do you want to convert into XML format
-if SOC=='false':
- user_input = raw_input('Calculation without SOC detected. Do you want to convert to xml anyway [y/n]?\n')
- if str(user_input) == 'y':
- SOC = 'true'
- dyn2xml(prefix)
- os.system('mv {0}.dyn*.xml save'.format(prefix))
-
# Test if seq. or parallel run
SEQ = isSEQ(prefix)
diff --git a/EPW/epw.md b/EPW/epw.md
index 1531cc57c4957212a70f9f2461bb1de4541fe2fd..3ba662895db2009b93bb25f6adf8825704aa39ed 100644
--- a/EPW/epw.md
+++ b/EPW/epw.md
@@ -10,7 +10,6 @@ authors: Samuel Poncé
author_description: The EPW project is mainly developed at the university of Oxford.
github: https://github.com/sponce24
email: samuel.pon@gmail.com
-project_sourceforge: http://qeforge.qe-forge.org/gf/project/q-e/
predocmark: >
media_dir: ./media
page_dir: ./Ford
diff --git a/EPW/src/createkmap.f90 b/EPW/src/createkmap.f90
index 956ad08103bb955c8b37b148a925b88d04e0f3c5..92fc25f9611bc2d69c28fcd109a939a5d9eb7886 100644
--- a/EPW/src/createkmap.f90
+++ b/EPW/src/createkmap.f90
@@ -645,8 +645,6 @@
! every processor has just a chunk of the array, I may need some
! communication)
!
- ! No ultrasoft now
- !
! I use the rule : if not found then gmap = 0
! Note that the map will be used only up to npwx (small sphere),
! while the G-vectors lost in the process are on the surface of
diff --git a/EPW/src/elph2.f90 b/EPW/src/elph2.f90
index bb9790470d96257a4a683df704f297e6a35f5409..2f9dee7e9ac67d6f851f95f53e79e73648a59e2d 100644
--- a/EPW/src/elph2.f90
+++ b/EPW/src/elph2.f90
@@ -65,8 +65,6 @@
zi_all(:,:), &!
esigmar_all(:,:,:), &!
esigmai_all(:,:,:), &!
- gammar_all(:,:,:), &! Real part of the Phonon self-energy (freq. dependent for spectral function)
- gammai_all(:,:,:), &! Imaginary part of the Phonon self-energy (freq. dependent for spectral function)
jdos(:), &!
spectra(:,:,:,:,:,:), &! dipole absorption spectra, polarizations, nomega, nsmear, dme/vme, absorption/emission
sumr(:,:,:,:), &! to apply the ASR correction to every xq
diff --git a/EPW/src/ephwann_shuffle.f90 b/EPW/src/ephwann_shuffle.f90
index 451621a0642c2ab6fa10cfe1670ce9ad31a6c391..89da973b2fa83ecfcb66ac4c42b9cca69ac78d37 100644
--- a/EPW/src/ephwann_shuffle.f90
+++ b/EPW/src/ephwann_shuffle.f90
@@ -18,9 +18,6 @@
!! Compact formalism Dec 2006
!! Phonon irreducible zone Mar 2007
!!
- !! No ultrasoft now
- !! No spin polarization
- !!
!! RM - add noncolin case
!-----------------------------------------------------------------------
!
@@ -1475,6 +1472,13 @@
!
ENDDO
CLOSE(lambda_phself)
+ !
+ ! SP - 03/2019
+ ! \Gamma = 1/\tau = phonon lifetime
+ ! \Gamma = - 2 * Im \Pi^R where \Pi^R is the retarted phonon self-energy.
+ ! Im \Pi^R = pi*k-point weight*[f(E_k+q) - f(E_k)]*delta[E_k+q - E_k - w_q]
+ ! Since gamma_all = pi*k-point weight*[f(E_k) - f(E_k+q)]*delta[E_k+q - E_k - w_q] we have
+ ! \Gamma = 2 * gamma_all
OPEN(unit=linewidth_phself,file='linewidth.phself')
WRITE(linewidth_phself, '(a)') '# Phonon frequency and phonon lifetime in meV '
WRITE(linewidth_phself,'(a)') '# Q-point Mode Phonon freq (meV) Phonon linewidth (meV)'
@@ -1482,7 +1486,7 @@
!
DO imode=1, nmodes
WRITE(linewidth_phself,'(i9,i6,E20.8,E22.10)') iqq,imode,&
- ryd2mev*wf(imode,iqq),ryd2mev*REAL(gamma_all(imode,iqq,1))
+ ryd2mev*wf(imode,iqq), 2.0d0 * ryd2mev * REAL(gamma_all(imode,iqq,1))
ENDDO
!
ENDDO
diff --git a/EPW/src/ephwann_shuffle_mem.f90 b/EPW/src/ephwann_shuffle_mem.f90
index 3bef29b98cdaefa1ef77da5879f21dd0a809e777..c5a7ec0b0c111855d8b233d2d407d8751dc2bf33 100644
--- a/EPW/src/ephwann_shuffle_mem.f90
+++ b/EPW/src/ephwann_shuffle_mem.f90
@@ -20,9 +20,6 @@
!! Compact formalism Dec 2006
!! Phonon irreducible zone Mar 2007
!!
- !! No ultrasoft now
- !! No spin polarization
- !!
!! RM - add noncolin case
!-----------------------------------------------------------------------
!
diff --git a/EPW/src/gmap_sym.f90 b/EPW/src/gmap_sym.f90
index 15af94bb4963bcb9a7340e4cd4bc623a7776d756..b9c31a58e04ee15bb257a62c3cc5bcaf46f52018 100644
--- a/EPW/src/gmap_sym.f90
+++ b/EPW/src/gmap_sym.f90
@@ -20,8 +20,6 @@
!! every processor has just a chunk of the array, I may need some
!! communication)
!!
- !! No ultrasoft now
- !!
!----------------------------------------------------------------------
USE kinds, ONLY : DP
USE constants_epw, ONLY : twopi, ci, cone
diff --git a/EPW/src/io_eliashberg.f90 b/EPW/src/io_eliashberg.f90
index 73a518c5cbd848615ad5105f1f29c0a21bb80081..baae50c83800b819770f6503600e6d1384797a39 100644
--- a/EPW/src/io_eliashberg.f90
+++ b/EPW/src/io_eliashberg.f90
@@ -2074,8 +2074,8 @@
USE io_epw, ONLY : iufilgap
USE io_files, ONLY : prefix
USE epwcom, ONLY : fsthick
- USE eliashbergcom, ONLY : estemp, Agap, nkfs, nbndfs, ef0, ekfs
- USE constants_epw, ONLY : kelvin2eV, zero
+ USE eliashbergcom, ONLY : estemp, Agap, nkfs, nbndfs, ef0, ekfs, w0g
+ USE constants_epw, ONLY : kelvin2eV, zero, eps5
!
IMPLICIT NONE
!
@@ -2099,8 +2099,6 @@
!! Step size in nbin
REAL(DP) :: delta_max
!! Max value of superconducting gap
- REAL(DP) :: sigma
- !! Variable for smearing
REAL(DP) :: weight
!! Variable for weight
REAL(DP), ALLOCATABLE :: delta_k_bin(:)
@@ -2110,8 +2108,8 @@
!
temp = estemp(itemp) / kelvin2eV
!
- delta_max = 1.25d0 * maxval(Agap(:,:,itemp))
- nbin = int(delta_max/(0.005d0/1000.d0))
+ delta_max = 1.1d0 * maxval(Agap(:,:,itemp))
+ nbin = NINT(delta_max / eps5) + 1
dbin = delta_max / dble(nbin)
IF ( .not. ALLOCATED(delta_k_bin) ) ALLOCATE( delta_k_bin(nbin) )
delta_k_bin(:) = zero
@@ -2119,11 +2117,9 @@
DO ik = 1, nkfs
DO ibnd = 1, nbndfs
IF ( abs( ekfs(ibnd,ik) - ef0 ) .lt. fsthick ) THEN
- DO ibin = 1, nbin
- sigma = 1.d0 * dbin
- weight = w0gauss( ( Agap(ibnd,ik,itemp) - dble(ibin) * dbin) / sigma, 0 ) / sigma
- delta_k_bin(ibin) = delta_k_bin(ibin) + weight
- ENDDO
+ ibin = nint( Agap(ibnd,ik,itemp) / dbin ) + 1
+ weight = w0g(ibnd,ik)
+ delta_k_bin(ibin) = delta_k_bin(ibin) + weight
ENDIF
ENDDO
ENDDO
diff --git a/EPW/src/print_ibte.f90 b/EPW/src/print_ibte.f90
index 8c739dcb45478eb4713489af3223132348df3dbc..f1454f696f08df70aa0aad96e910ab4c3e62e5ba 100644
--- a/EPW/src/print_ibte.f90
+++ b/EPW/src/print_ibte.f90
@@ -1,11 +1,10 @@
!
! Copyright (C) 2010-2016 Samuel Ponce', Roxana Margine, Carla Verdi, Feliciano Giustino
- ! Copyright (C) 2016-2018 Samuel Ponce'
+ ! Copyright (C) 2016-2019 Samuel Ponce', Roxana Margine, Feliciano Giustino
!
! This file is distributed under the terms of the GNU General Public
! License. See the file `LICENSE' in the root directory of the
! present distribution, or http://www.gnu.org/copyleft.gpl.txt .
- !
!
!-----------------------------------------------------------------------
SUBROUTINE print_ibte( iqq, iq, totq, ef0, efcb, first_cycle, ind_tot, ind_totcb, &
diff --git a/EPW/src/printing.f90 b/EPW/src/printing.f90
index 624b8f1521a090be17b324b3ae9d16327e2a54b0..7e5c9abca0652f0de640dab338a6d8bca42030b1 100644
--- a/EPW/src/printing.f90
+++ b/EPW/src/printing.f90
@@ -354,9 +354,17 @@
!! The derivative of wgauss: an approximation to the delta function
REAL(KIND=DP) :: Fi_check(3, nstemp)
!! Sum rule on population
- inv_cell = 1.0d0/omega
+ REAL(KIND=DP) :: sfac
+ !! Spin factor
!
+ IF (noncolin) THEN
+ sfac = 1.0
+ ELSE
+ sfac = 2.0
+ ENDIF
+ inv_cell = 1.0d0/omega
Fi_check(:,:) = zero
+ !
! Hole
IF (ncarrier < -1E5) THEN
Sigma(:,:) = zero
@@ -398,36 +406,30 @@
ij = ij + 1
! The factor two in the weight at the end is to
! account for spin
- IF (noncolin) THEN
- tdf_sigma(ij) = tdf_sigma(ij) + ( v_rot(i) * Fi_rot(j) ) * 1.0 / (nkf1*nkf2*nkf3)
- !tdf_sigma(ij) = tdf_sigma(ij) + ( v_rot(i) * v_rot(j) ) * 1.0 / (nkf1*nkf2*nkf3)
- ELSE
- tdf_sigma(ij) = tdf_sigma(ij) + ( v_rot(i) * Fi_rot(j) ) * 2.0 / (nkf1*nkf2*nkf3)
- !tdf_sigma(ij) = tdf_sigma(ij) + ( v_rot(i) * v_rot(j) ) * 2.0 / (nkf1*nkf2*nkf3)
- ENDIF
+ tdf_sigma(ij) = tdf_sigma(ij) + ( v_rot(i) * Fi_rot(j) ) * sfac / (nkf1*nkf2*nkf3)
ENDDO
ENDDO
!
- Fi_check(:,itemp) = Fi_check(:,itemp) + Fi_rot(:)
+ Fi_check(:,itemp) = Fi_check(:,itemp) + Fi_rot(:) * sfac / (nkf1*nkf2*nkf3)
ENDIF ! BZ
ENDDO ! ikb
!
! energy at k (relative to Ef)
- ekk = etf_all (ibnd, ik ) - ef0(itemp)
+ !ekk = etf_all (ibnd, ik ) - ef0(itemp)
!
! derivative Fermi distribution
! (-df_nk/dE_nk) = (f_nk)*(1-f_nk)/ (k_B T)
- dfnk = w0gauss( ekk / etemp, -99 ) / etemp
+ !dfnk = w0gauss( ekk / etemp, -99 ) / etemp
!
! electrical conductivity
- Sigma(:,itemp) = Sigma(:,itemp) + dfnk * tdf_sigma(:)
+ Sigma(:,itemp) = Sigma(:,itemp) + tdf_sigma(:)
+ !Sigma(:,itemp) = Sigma(:,itemp) + dfnk * tdf_sigma(:)
!
ENDIF ! if below Fermi level
ENDDO ! ibnd
ENDDO ! ik
ENDDO ! itemp
!
- !CALL mp_sum( Sigma(:,:), world_comm )
!
DO itemp=1, nstemp
etemp = transp_temp(itemp)
@@ -447,7 +449,6 @@
!IF (my_pool_id == 0 ) write(990,*)ik, etf_all(1,ik + lower_bnd - 1), carrier_density
!IF (my_pool_id == 1 ) write(991,*)ik, etf_all(1,ik + lower_bnd - 1), carrier_density
ENDDO
- !CALL mp_sum( carrier_density, world_comm )
!
sigma_up(:,:) = zero
sigma_up(1,1) = Sigma(1,itemp)
@@ -518,29 +519,24 @@
ij = ij + 1
! The factor two in the weight at the end is to
! account for spin
- IF (noncolin) THEN
- tdf_sigma(ij) = tdf_sigma(ij) + ( v_rot(i) * Fi_rot(j) ) * 1.0 / (nkf1*nkf2*nkf3)
- !tdf_sigma(ij) = tdf_sigma(ij) + ( v_rot(i) * v_rot(j) ) * 1.0 / (nkf1*nkf2*nkf3)
- ELSE
- tdf_sigma(ij) = tdf_sigma(ij) + ( v_rot(i) * Fi_rot(j) ) * 2.0 / (nkf1*nkf2*nkf3)
- !tdf_sigma(ij) = tdf_sigma(ij) + ( v_rot(i) * v_rot(j) ) * 2.0 / (nkf1*nkf2*nkf3)
- ENDIF
+ tdf_sigma(ij) = tdf_sigma(ij) + ( v_rot(i) * Fi_rot(j) ) * sfac / (nkf1*nkf2*nkf3)
ENDDO
ENDDO
!
- Fi_check(:,itemp) = Fi_check(:,itemp) + Fi_rot(:)
+ Fi_check(:,itemp) = Fi_check(:,itemp) + Fi_rot(:) * sfac / (nkf1*nkf2*nkf3)
ENDIF ! BZ
ENDDO ! ikb
!
! energy at k (relative to Ef)
- ekk = etf_all (ibnd, ik) - ef0(itemp)
+ !ekk = etf_all (ibnd, ik) - ef0(itemp)
!
! derivative Fermi distribution
! (-df_nk/dE_nk) = (f_nk)*(1-f_nk)/ (k_B T)
- dfnk = w0gauss( ekk / etemp, -99 ) / etemp
+ !dfnk = w0gauss( ekk / etemp, -99 ) / etemp
!
! electrical conductivity
- Sigma(:,itemp) = Sigma(:,itemp) + dfnk * tdf_sigma(:)
+ Sigma(:,itemp) = Sigma(:,itemp) + tdf_sigma(:)
+ !Sigma(:,itemp) = Sigma(:,itemp) + dfnk * tdf_sigma(:)
!
ENDIF ! if below Fermi level
ENDDO ! ibnd
@@ -683,10 +679,16 @@
!! Compute the approximate theta function. Here computes Fermi-Dirac
REAL(KIND=DP), EXTERNAL :: w0gauss
!! The derivative of wgauss: an approximation to the delta function
-
+ REAL(KIND=DP) :: sfac
+ !! Spin factor
!
inv_cell = 1.0d0/omega
Fi_check(:,:) = zero
+ IF (noncolin) THEN
+ sfac = 1.0
+ ELSE
+ sfac = 2.0
+ ENDIF
!
! Hole
IF (ncarrier < -1E5) THEN
@@ -710,17 +712,17 @@
tdf_sigma(ij) = vkk_all(i, ibnd, ik) * F_SERTA(j, ibnd, ik, itemp) * wkf_all(ik)
ENDDO
ENDDO
- Fi_check(:,itemp) = Fi_check(:,itemp) + F_SERTA(:, ibnd, ik, itemp)
+ Fi_check(:,itemp) = Fi_check(:,itemp) + F_SERTA(:, ibnd, ik, itemp) * sfac / (nkf1*nkf2*nkf3)
!
! energy at k (relative to Ef)
- ekk = etf_all (ibnd, ik ) - ef0(itemp)
+ !ekk = etf_all (ibnd, ik ) - ef0(itemp)
!
! derivative Fermi distribution
! (-df_nk/dE_nk) = (f_nk)*(1-f_nk)/ (k_B T)
- dfnk = w0gauss( ekk / etemp, -99 ) / etemp
+ !dfnk = w0gauss( ekk / etemp, -99 ) / etemp
!
! electrical conductivity
- Sigma(:,itemp) = Sigma(:,itemp) + dfnk * tdf_sigma(:)
+ Sigma(:,itemp) = Sigma(:,itemp) + tdf_sigma(:)
!
ENDIF ! if below Fermi level
ENDDO ! ibnd
@@ -801,17 +803,17 @@
tdf_sigma(ij) = vkk_all(i, ibnd, ik) * F_SERTA(j, ibnd, ik, itemp) * wkf_all(ik)
ENDDO
ENDDO
- Fi_check(:,itemp) = Fi_check(:,itemp) + F_SERTA(:, ibnd, ik, itemp)
+ Fi_check(:,itemp) = Fi_check(:,itemp) + F_SERTA(:, ibnd, ik, itemp) * sfac / (nkf1*nkf2*nkf3)
!
! energy at k (relative to Ef)
- ekk = etf_all (ibnd, ik) - ef0(itemp)
+ !ekk = etf_all (ibnd, ik) - ef0(itemp)
!
! derivative Fermi distribution
! (-df_nk/dE_nk) = (f_nk)*(1-f_nk)/ (k_B T)
- dfnk = w0gauss( ekk / etemp, -99 ) / etemp
+ !dfnk = w0gauss( ekk / etemp, -99 ) / etemp
!
! electrical conductivity
- Sigma(:,itemp) = Sigma(:,itemp) + dfnk * tdf_sigma(:)
+ Sigma(:,itemp) = Sigma(:,itemp) + tdf_sigma(:)
!
ENDIF ! if below Fermi level
ENDDO ! ibnd
@@ -983,9 +985,15 @@
!! Compute the approximate theta function. Here computes Fermi-Dirac
REAL(KIND=DP), EXTERNAL :: w0gauss
!! The derivative of wgauss: an approximation to the delta function
-
+ REAL(KIND=DP) :: sfac
+ !! Spin factor
+ !
+ IF (noncolin) THEN
+ sfac = 1.0
+ ELSE
+ sfac = 2.0
+ ENDIF
Fi_check(:,:) = zero
- !
inv_cell = 1.0d0/omega
!
IF (ncarrier < -1E5) THEN ! If true print hole
@@ -1028,33 +1036,29 @@
ij = ij + 1
! The factor two in the weight at the end is to
! account for spin
- IF (noncolin) THEN
- tdf_sigma(ij) = tdf_sigma(ij) + ( v_rot(i) * Fi_rot(j) ) * 1.0 / (nkf1*nkf2*nkf3)
- ELSE
- tdf_sigma(ij) = tdf_sigma(ij) + ( v_rot(i) * Fi_rot(j) ) * 2.0 / (nkf1*nkf2*nkf3)
- ENDIF
+ tdf_sigma(ij) = tdf_sigma(ij) + ( v_rot(i) * Fi_rot(j) ) * sfac / (nkf1*nkf2*nkf3)
ENDDO
ENDDO
!
- Fi_check(:,itemp) = Fi_check(:,itemp) + Fi_rot(:)
+ Fi_check(:,itemp) = Fi_check(:,itemp) + Fi_rot(:) * sfac / (nkf1*nkf2*nkf3)
ENDIF ! BZ
ENDDO ! ikb
!
! energy at k (relative to Ef)
- ekk = etf_all (ibnd, ik) - ef0(itemp)
+ !ekk = etf_all (ibnd, ik) - ef0(itemp)
!
! derivative Fermi distribution
! (-df_nk/dE_nk) = (f_nk)*(1-f_nk)/ (k_B T)
- dfnk = w0gauss( ekk / etemp, -99 ) / etemp
+ !dfnk = w0gauss( ekk / etemp, -99 ) / etemp
!
! electrical conductivity
- Sigma(:,itemp) = Sigma(:,itemp) + dfnk * tdf_sigma(:)
+ Sigma(:,itemp) = Sigma(:,itemp) + tdf_sigma(:)
!
ENDIF ! if below Fermi level
ENDDO ! ibnd
ENDDO ! ik
ENDDO ! itemp
- !CALL mp_sum( Sigma(:,:), world_comm )
+ !
DO itemp=1, nstemp
etemp = transp_temp(itemp)
carrier_density = 0.0
@@ -1144,27 +1148,23 @@
ij = ij + 1
! The factor two in the weight at the end is to
! account for spin
- IF (noncolin) THEN
- tdf_sigma(ij) = tdf_sigma(ij) + ( v_rot(i) * Fi_rot(j) ) * 1.0 / (nkf1*nkf2*nkf3)
- ELSE
- tdf_sigma(ij) = tdf_sigma(ij) + ( v_rot(i) * Fi_rot(j) ) * 2.0 / (nkf1*nkf2*nkf3)
- ENDIF
+ tdf_sigma(ij) = tdf_sigma(ij) + ( v_rot(i) * Fi_rot(j) ) * sfac / (nkf1*nkf2*nkf3)
ENDDO
ENDDO
!
- Fi_check(:,itemp) = Fi_check(:,itemp) + Fi_rot(:)
+ Fi_check(:,itemp) = Fi_check(:,itemp) + Fi_rot(:) * sfac / (nkf1*nkf2*nkf3)
ENDIF ! BZ
ENDDO ! ikb
!
! energy at k (relative to Ef)
- ekk = etf_all (ibnd, ik) - ef0(itemp)
+ !ekk = etf_all (ibnd, ik) - ef0(itemp)
!
! derivative Fermi distribution
! (-df_nk/dE_nk) = (f_nk)*(1-f_nk)/ (k_B T)
- dfnk = w0gauss( ekk / etemp, -99 ) / etemp
+ !dfnk = w0gauss( ekk / etemp, -99 ) / etemp
!
! electrical conductivity
- Sigma(:,itemp) = Sigma(:,itemp) + dfnk * tdf_sigma(:)
+ Sigma(:,itemp) = Sigma(:,itemp) + tdf_sigma(:)
!
ENDIF ! if below Fermi level
ENDDO ! ibnd
@@ -1312,9 +1312,16 @@
!! Compute the approximate theta function. Here computes Fermi-Dirac
REAL(KIND=DP), EXTERNAL :: w0gauss
!! The derivative of wgauss: an approximation to the delta function
-
- Fi_check(:,:) = zero
+ REAL(KIND=DP) :: sfac
+ !! Spin factor
+ !
+ IF (noncolin) THEN
+ sfac = 1.0
+ ELSE
+ sfac = 2.0
+ ENDIF
!
+ Fi_check(:,:) = zero
inv_cell = 1.0d0/omega
!
IF (ncarrier < -1E5) THEN ! If true print hole
@@ -1337,17 +1344,18 @@
tdf_sigma(ij) = vkk_all(i, ibnd, ik) * F_out(j, ibnd, ik, itemp) * wkf_all(ik)
ENDDO
ENDDO
- Fi_check(:,itemp) = Fi_check(:,itemp) + F_out(:, ibnd, ik, itemp)
+ Fi_check(:,itemp) = Fi_check(:,itemp) + F_out(:, ibnd, ik, itemp) * sfac / (nkf1*nkf2*nkf3)
!
! energy at k (relative to Ef)
- ekk = etf_all (ibnd, ik) - ef0(itemp)
+ !ekk = etf_all (ibnd, ik) - ef0(itemp)
!
! derivative Fermi distribution
! (-df_nk/dE_nk) = (f_nk)*(1-f_nk)/ (k_B T)
- dfnk = w0gauss( ekk / etemp, -99 ) / etemp
+ !dfnk = w0gauss( ekk / etemp, -99 ) / etemp
!
! electrical conductivity
- Sigma(:,itemp) = Sigma(:,itemp) + dfnk * tdf_sigma(:)
+ !Sigma(:,itemp) = Sigma(:,itemp) + dfnk * tdf_sigma(:)
+ Sigma(:,itemp) = Sigma(:,itemp) + tdf_sigma(:)
!
ENDIF ! if below Fermi level
ENDDO ! ibnd
@@ -1425,17 +1433,17 @@
tdf_sigma(ij) = vkk_all(i, ibnd, ik) * F_out(j, ibnd, ik, itemp) * wkf_all(ik)
ENDDO
ENDDO
- Fi_check(:,itemp) = Fi_check(:,itemp) + F_out(:, ibnd, ik, itemp)
+ Fi_check(:,itemp) = Fi_check(:,itemp) + F_out(:, ibnd, ik, itemp) * sfac / (nkf1*nkf2*nkf3)
!
! energy at k (relative to Ef)
- ekk = etf_all (ibnd, ik) - ef0(itemp)
+ !ekk = etf_all (ibnd, ik) - ef0(itemp)
!
! derivative Fermi distribution
! (-df_nk/dE_nk) = (f_nk)*(1-f_nk)/ (k_B T)
- dfnk = w0gauss( ekk / etemp, -99 ) / etemp
+ !dfnk = w0gauss( ekk / etemp, -99 ) / etemp
!
! electrical conductivity
- Sigma(:,itemp) = Sigma(:,itemp) + dfnk * tdf_sigma(:)
+ Sigma(:,itemp) = Sigma(:,itemp) + tdf_sigma(:)
!
ENDIF ! if below Fermi level
ENDDO ! ibnd
diff --git a/EPW/src/selfen_phon.f90 b/EPW/src/selfen_phon.f90
index 344c3924bb236dec6505787b6e24b88e1769301e..601b22609df7eac2484cfbaf500180c9344156b2 100644
--- a/EPW/src/selfen_phon.f90
+++ b/EPW/src/selfen_phon.f90
@@ -329,13 +329,13 @@
wgkq = wgauss( -ekq*inv_eptemp0, -99)
!
! = k-point weight * [f(E_k) - f(E_k+q)]/ [E_k+q - E_k -w_q + id]
- ! This is the imaginary part of the phonon self-energy, sans
+ ! This is the imaginary part of minus the phonon self-energy, sans
! the matrix elements
!
!weight = wkf (ikk) * (wgkk - wgkq) * &
! aimag ( cone / ( ekq - ekk - wq - ci * degaussw0 ) )
!
- ! SP: The expression below (phonon self-energy) corresponds to
+ ! SP: The expression below (minus phonon self-energy) corresponds to
! = pi*k-point weight*[f(E_k) - f(E_k+q)]*delta[E_k+q - E_k - w_q]
weight = pi * wkf (ikk) * (wgkk - wgkq)* &
w0gauss ( (ekq - ekk - wq) / degaussw0, 0) / degaussw0
diff --git a/EPW/src/spectral_func_ph.f90 b/EPW/src/spectral_func_ph.f90
index 2acc1d9ea03c70b9805750530abb56467e202d79..9ae8eae810373b766fdd4b095aea9c0fe15a2de4 100644
--- a/EPW/src/spectral_func_ph.f90
+++ b/EPW/src/spectral_func_ph.f90
@@ -33,9 +33,7 @@
wmax_specfun, nw_specfun
USE pwcom, ONLY : nelec, ef, isk
USE elph2, ONLY : epf17, ibndmax, ibndmin, etf, &
- wkf, xqf, nkqf, &
- nkf, wf, a_all, &
- gammai_all,gammar_all, efnew
+ wkf, xqf, nkqf, nkf, wf, a_all, efnew
USE constants_epw, ONLY : ryd2mev, ryd2ev, two, zero, pi, cone, ci, eps8
USE mp_world, ONLY : mpime
USE mp, ONLY : mp_barrier, mp_sum
@@ -64,8 +62,6 @@
!! Counter on mode
INTEGER :: fermicount
!! Number of states on the Fermi surface
- INTEGER :: ismear
- !! Smearing index
INTEGER :: iw
!! Counter on frequency for the phonon spectra
!
@@ -85,13 +81,9 @@
!! Self-energy factor
REAL(kind=DP) :: dosef
!! Density of state N(Ef)
- REAL(kind=DP) :: degaussw0
- !! Gaussian smearing parameter
- REAL(kind=DP) :: inv_degaussw0
+ REAL(kind=DP) :: inv_degaussw
!! Inverse Gaussian for efficiency reasons
- REAL(kind=DP) :: eptemp0
- !! Temperature
- REAL(kind=DP) :: inv_eptemp0
+ REAL(kind=DP) :: inv_eptemp
!! Inverse temperature
REAL(kind=DP) :: inv_wq
!! $frac{1}{2\omega_{q\nu}}$ defined for efficiency reasons
@@ -114,8 +106,14 @@
REAL(kind=DP), external :: w0gauss
!! This function computes the derivative of the Fermi-Dirac function
!! It is therefore an approximation for a delta function
+ REAL(kind=DP) :: gammai_all(nw_specfun, nmodes)
+ !! Imaginary part of the frequency dependent spectral function
+ REAL(kind=DP) :: gammar_all(nw_specfun, nmodes)
+ !! Real part of the Phonon self-energy (freq. dependent for spectral function)
!
dw = ( wmax_specfun - wmin_specfun ) / dble (nw_specfun-1)
+ gammar_all(:,:) = zero
+ gammai_all(:,:) = zero
!
! Thomas-Fermi screening according to Resta PRB 1977
! Here specific case of Diamond
@@ -135,234 +133,218 @@
'Fermi Surface thickness = ', fsthick * ryd2ev, ' eV'
WRITE(stdout, '(/5x,a,f10.6,a)' ) &
'Golden Rule strictly enforced with T = ',eptemp * ryd2ev, ' eV'
+ ENDIF
+ !
+ !
+ ! SP: Multiplication is faster than division ==> Important if called a lot
+ ! in inner loops
+ inv_degaussw = 1.0/degaussw
+ inv_eptemp = 1.0/eptemp
+ !
+ ! Fermi level and corresponding DOS
+ !
+ IF ( efermi_read ) THEN
+ !
+ ef0 = fermi_energy
+ !
+ ELSE IF (nsmear > 1) THEN
!
- IF ( .not. ALLOCATED (gammai_all) ) ALLOCATE( gammai_all (nmodes, totq, nw_specfun) )
- IF ( .not. ALLOCATED (gammar_all) ) ALLOCATE( gammar_all (nmodes, totq, nw_specfun) )
- gammar_all(:,:,:) = zero
- gammai_all(:,:,:) = zero
+ ef0 = efermig(etf,nbndsub,nkqf,nelec,wkf,degaussw,ngaussw,0,isk)
+ ! if some bands are skipped (nbndskip.neq.0), nelec has already been
+ ! recalculated in ephwann_shuffle
!
+ ELSE !SP: This is added for efficiency reason because the efermig routine is slow
+ ef0 = efnew
ENDIF
!
- DO ismear = 1, nsmear
- !
- degaussw0 = (ismear-1) * delta_smear + degaussw
- eptemp0 = (ismear-1) * delta_smear + eptemp
- !
- ! SP: Multiplication is faster than division ==> Important if called a lot
- ! in inner loops
- inv_degaussw0 = 1.0/degaussw0
- inv_eptemp0 = 1.0/eptemp0
- !
- ! Fermi level and corresponding DOS
- !
- IF ( efermi_read ) THEN
- !
- ef0 = fermi_energy
- !
- ELSE IF (nsmear > 1) THEN
- !
- ef0 = efermig(etf,nbndsub,nkqf,nelec,wkf,degaussw0,ngaussw,0,isk)
- ! if some bands are skipped (nbndskip.neq.0), nelec has already been
- ! recalculated in ephwann_shuffle
- !
- ELSE !SP: This is added for efficiency reason because the efermig routine is slow
- ef0 = efnew
- ENDIF
- !
- dosef = dos_ef (ngaussw, degaussw0, ef0, etf, wkf, nkqf, nbndsub)
- ! N(Ef) in the equation for lambda is the DOS per spin
- dosef = dosef / two
- !
- IF ( iq .eq. 1 ) THEN
- WRITE (stdout, 100) degaussw0 * ryd2ev, ngaussw
- WRITE (stdout, 101) dosef / ryd2ev, ef0 * ryd2ev
- ENDIF
- !
- CALL start_clock('PH SPECTRAL-FUNCTIO')
- !
- fermicount = 0
- gamma0(:) = zero
- !
- DO ik = 1, nkf
- ikk = 2 * ik - 1
- ikq = ikk + 1
- !
- ! Here we must have ef, not ef0, to be consistent with ephwann_shuffle
- IF ( ( minval ( abs(etf (:, ikk) - ef) ) .lt. fsthick ) .AND. &
- ( minval ( abs(etf (:, ikq) - ef) ) .lt. fsthick ) ) THEN
- !
- fermicount = fermicount + 1
- !
- DO imode = 1, nmodes
- !
- ! the phonon frequency
- wq = wf (imode, iq)
- !
- ! SP : We should avoid branching statements (if statements) in
- ! innerloops. Therefore we do it here.
- inv_wq = 1.0/(two * wq)
- ! the coupling from Gamma acoustic phonons is negligible
- IF ( wq .gt. eps_acustic ) THEN
- g2_tmp = 1.0
- ELSE
- g2_tmp = 0.0
- ENDIF
- !
- DO ibnd = 1, ibndmax-ibndmin+1
- !
- ! the fermi occupation for k
- ekk = etf (ibndmin-1+ibnd, ikk) - ef0
- wgkk = wgauss( -ekk*inv_eptemp0, -99)
- !w0g1 = w0gauss ( ekk / degaussw0, 0) / degaussw0
- !
- DO jbnd = 1, ibndmax-ibndmin+1
- !
- ! the fermi occupation for k+q
- ekq = etf (ibndmin-1+jbnd, ikq) - ef0
- wgkq = wgauss( -ekq*inv_eptemp0, -99)
- !w0g2 = w0gauss ( ekq / degaussw0, 0) / degaussw0
- !
- ! here we take into account the zero-point sqrt(hbar/2M\omega)
- ! with hbar = 1 and M already contained in the eigenmodes
- ! g2 is Ry^2, wkf must already account for the spin factor
- !
- IF ( shortrange .AND. ( abs(xqf (1, iq))> eps8 .OR. abs(xqf (2, iq))> eps8 &
- .OR. abs(xqf (3, iq))> eps8 )) THEN
- ! SP: The abs has to be removed. Indeed the epf17 can be a pure imaginary
- ! number, in which case its square will be a negative number.
- g2 = REAL( (epf17 (jbnd, ibnd, imode, ik)**two)*inv_wq*g2_tmp ) !* epsTF
- ELSE
- g2 = (abs(epf17 (jbnd, ibnd, imode, ik))**two)*inv_wq*g2_tmp !* epsTF
- ENDIF
- !
- ! = k-point weight * [f(E_k) - f(E_k+q)]/ [E_k+q - E_k -w_q +id]
- ! This is the imaginary part of the phonon self-energy, sans the matrix elements
- !
- !weight = wkf (ikk) * (wgkk - wgkq) * &
- ! aimag ( cone / ( ekq - ekk - wq - ci * degaussw0 ) )
- !
- ! SP: The expression below (phonon self-energy) corresponds to
- ! = pi*k-point weight*[f(E_k) - f(E_k+q)]*delta[E_k+q - E_k -w_q]
- !
- weight = wkf (ikk) * (wgkk - wgkq) * &
- real ( cone / ( ekq - ekk + ci * degaussw0 ))
- !
- gamma0 ( imode ) = gamma0 ( imode ) + weight * g2
- !
- DO iw = 1, nw_specfun
- !
- ww = wmin_specfun + dble (iw-1) * dw
- !
- weight = wkf (ikk) * (wgkk - wgkq) * &
- real ( cone / ( ekq - ekk - ww + ci * degaussw0 ))
- gammar_all (imode,iq,iw) = gammar_all (imode,iq,iw) + weight * g2
- !
- ! Normal implementation
- !weight = wkf (ikk) * (wgkk - wgkq) * &
- ! aimag ( cone / ( ekq - ekk - ww + ci * degaussw0 ) )
- !
- ! More stable:
- ! Analytical im. part
- weight = pi * wkf (ikk) * (wgkk - wgkq) * &
- w0gauss ( (ekq - ekk - ww) / degaussw0, 0) / degaussw0
- !
- gammai_all (imode,iq,iw) = gammai_all(imode,iq,iw)+ weight * g2
- !
- ENDDO
- !
- ENDDO ! jbnd
- !
- ENDDO ! ibnd
- !
- ENDDO ! loop on q-modes
- !
- ENDIF ! endif fsthick
- !
- ENDDO ! loop on k
- !
- CALL stop_clock('PH SPECTRAL-FUNCTION')
- !
+ dosef = dos_ef (ngaussw, degaussw, ef0, etf, wkf, nkqf, nbndsub)
+ ! N(Ef) in the equation for lambda is the DOS per spin
+ dosef = dosef / two
+ !
+ IF ( iqq .eq. 1 ) THEN
+ WRITE (stdout, 100) degaussw * ryd2ev, ngaussw
+ WRITE (stdout, 101) dosef / ryd2ev, ef0 * ryd2ev
+ ENDIF
+ !
+ CALL start_clock('PH SPECTRAL-FUNCTION')
+ !
+ fermicount = 0
+ gamma0(:) = zero
+ !
+ DO ik = 1, nkf
+ ikk = 2 * ik - 1
+ ikq = ikk + 1
+ !
+ ! Here we must have ef, not ef0, to be consistent with ephwann_shuffle
+ IF ( ( minval ( abs(etf (:, ikk) - ef) ) .lt. fsthick ) .AND. &
+ ( minval ( abs(etf (:, ikq) - ef) ) .lt. fsthick ) ) THEN
+ !
+ fermicount = fermicount + 1
+ !
+ DO imode = 1, nmodes
+ !
+ ! the phonon frequency
+ wq = wf (imode, iq)
+ !
+ ! SP : We should avoid branching statements (if statements) in
+ ! innerloops. Therefore we do it here.
+ inv_wq = 1.0/(two * wq)
+ ! the coupling from Gamma acoustic phonons is negligible
+ IF ( wq .gt. eps_acustic ) THEN
+ g2_tmp = 1.0
+ ELSE
+ g2_tmp = 0.0
+ ENDIF
+ !
+ DO ibnd = 1, ibndmax-ibndmin+1
+ !
+ ! the fermi occupation for k
+ ekk = etf (ibndmin-1+ibnd, ikk) - ef0
+ wgkk = wgauss( -ekk*inv_eptemp, -99)
+ !w0g1 = w0gauss ( ekk / degaussw0, 0) / degaussw0
+ !
+ DO jbnd = 1, ibndmax-ibndmin+1
+ !
+ ! the fermi occupation for k+q
+ ekq = etf (ibndmin-1+jbnd, ikq) - ef0
+ wgkq = wgauss( -ekq*inv_eptemp, -99)
+ !w0g2 = w0gauss ( ekq / degaussw0, 0) / degaussw0
+ !
+ ! here we take into account the zero-point sqrt(hbar/2M\omega)
+ ! with hbar = 1 and M already contained in the eigenmodes
+ ! g2 is Ry^2, wkf must already account for the spin factor
+ !
+ IF ( shortrange .AND. ( abs(xqf (1, iq))> eps8 .OR. abs(xqf (2, iq))> eps8 &
+ .OR. abs(xqf (3, iq))> eps8 )) THEN
+ ! SP: The abs has to be removed. Indeed the epf17 can be a pure imaginary
+ ! number, in which case its square will be a negative number.
+ g2 = REAL( (epf17 (jbnd, ibnd, imode, ik)**two)*inv_wq*g2_tmp ) !* epsTF
+ ELSE
+ g2 = (abs(epf17 (jbnd, ibnd, imode, ik))**two)*inv_wq*g2_tmp !* epsTF
+ ENDIF
+ !
+ ! SP - 03/2019 - Retarded phonon self-energy
+ ! See Eq. 145 of RMP 89, 015003 (2017)
+ ! \Pi^R = k-point weight * [ [f(E_k+q) - f(E_k)]/ [E_k+q - E_k -w_q - id]
+ ! -[f(E_k+q) - f(E_k)]/ [E_k+q - E_k - id] ]
+ ! The second term is gamma0 (static)
+ !
+ weight = wkf (ikk) * (wgkq - wgkk) * &
+ REAL ( cone / ( ekq - ekk + ci * degaussw ))
+ !
+ gamma0 ( imode ) = gamma0 ( imode ) + weight * g2
+ !
+ DO iw = 1, nw_specfun
+ !
+ ww = wmin_specfun + dble (iw-1) * dw
+ !
+ weight = wkf (ikk) * (wgkq - wgkk) * &
+ REAL ( cone / ( ekq - ekk - ww + ci * degaussw ))
+ gammar_all (iw, imode) = gammar_all (iw, imode) + weight * g2
+ !
+ ! Normal implementation
+ !weight = wkf (ikk) * (wgkq - wgkk) * &
+ ! aimag ( cone / ( ekq - ekk - ww + ci * degaussw0 ) )
+ !
+ ! More stable:
+ ! Analytical im. part
+ weight = pi * wkf (ikk) * (wgkq - wgkk) * &
+ w0gauss ( (ekq - ekk - ww) / degaussw, 0) / degaussw
+ !
+ gammai_all (iw, imode) = gammai_all(iw, imode) + weight * g2
+ !
+ ENDDO
+ !
+ ENDDO ! jbnd
+ !
+ ENDDO ! ibnd
+ !
+ ENDDO ! loop on q-modes
+ !
+ ENDIF ! endif fsthick
+ !
+ ENDDO ! loop on k
+ !
+ CALL stop_clock('PH SPECTRAL-FUNCTION')
+ !
#if defined(__MPI)
- !
- ! collect contributions from all pools (sum over k-points)
- ! this finishes the integral over the BZ (k)
- !
- CALL mp_sum(gammai_all,inter_pool_comm)
- CALL mp_sum(gammar_all,inter_pool_comm)
- CALL mp_sum(gamma0,inter_pool_comm)
- CALL mp_sum(fermicount, inter_pool_comm)
- CALL mp_barrier(inter_pool_comm)
- !
+ !
+ ! collect contributions from all pools (sum over k-points)
+ ! this finishes the integral over the BZ (k)
+ !
+ CALL mp_sum(gammai_all,inter_pool_comm)
+ CALL mp_sum(gammar_all,inter_pool_comm)
+ CALL mp_sum(gamma0,inter_pool_comm)
+ CALL mp_sum(fermicount, inter_pool_comm)
+ CALL mp_barrier(inter_pool_comm)
+ !
#endif
- !
- WRITE(stdout,'(5x,a)')
- IF (.not. ALLOCATED (a_all)) ALLOCATE ( a_all(nw_specfun, totq) )
- a_all(:,:) = zero
- !
- IF (iqq == 1 ) THEN
- IF (mpime.eq.ionode_id) THEN
- OPEN(unit=iospectral,file='specfun.phon')
- OPEN(unit=iospectral_sup,file='specfun_sup.phon')
- WRITE(iospectral, '(/2x,a)') '#Phonon spectral function (meV)'
- WRITE(iospectral_sup, '(2x,a)') '#Phonon eigenenergies + real and im part of phonon self-energy (meV)'
- WRITE(iospectral, '(/2x,a)') '#K-point Energy[eV] A(q,w)[meV^-1]'
- WRITE(iospectral_sup, '(2x,a)') '#Q-point Mode w_q[eV] w[eV] &
-& Real Sigma(w)[meV] Im Sigma(w=0)[meV] Im Sigma(w)[meV]'
- WRITE(stdout,'(/5x,a)') 'Real and Imaginary part of the phonon self-energy (omega=0).'
- ENDIF
- ENDIF
- !
- ! Write to output file
- !WRITE(stdout,'(/5x,"iq = ",i7," coord.: ", 3f12.7)') iq, xqf(:,iq)
- DO imode = 1, nmodes
- wq = wf (imode, iq)
- ! Real and Im part of Phonon self-energy at 0 freq.
- WRITE(stdout,105) imode, ryd2ev * wq, ryd2mev * gammar_all(imode,iq,1), ryd2mev * gammai_all(imode,iq,1)
- ENDDO
- WRITE( stdout, '(5x,a,i8,a,i8)' ) &
- 'Number of (k,k+q) pairs on the Fermi surface: ',fermicount, ' out of ', totq
-
- !
- ! Write to support files
- DO iw = 1, nw_specfun
- !
- ww = wmin_specfun + dble (iw-1) * dw
- !
- DO imode = 1, nmodes
- !
- wq = wf (imode, iq)
- !a_all(iw,iq) = a_all(iw,iq) + abs( gammai_all(imode,iq,iw) ) / pi / &
- ! ( ( ww - wq - gammar_all (imode,iq,iw) + gamma0 (imode))**two + (gammai_all(imode,iq,iw) )**two )
- ! SP: From Eq. 16 of PRB 9, 4733 (1974)
- ! Also in Eq.2 of PRL 119, 017001 (2017).
- a_all(iw,iq) = a_all(iw,iq) + ((2*wq)**2) * abs( gammai_all(imode,iq,iw) ) / pi / &
- ( ( ww**2 - wq**2 - 2 * wq * ( gammar_all (imode,iq,iw) - gamma0 (imode) ) )**two +&
- (2 * wq * gammai_all(imode,iq,iw) )**two )
- !
- IF (mpime.eq.ionode_id) THEN
- WRITE(iospectral_sup,'(2i9,2x,f12.5,2x,f12.5,2x,E22.14,2x,E22.14,2x,E22.14)') iq,&
- imode, ryd2ev * wq, ryd2ev * ww, ryd2mev * gammar_all(imode,iq,iw), ryd2mev * gamma0(imode),&
- ryd2mev * gammai_all(imode,iq,iw)
- ENDIF
- !
- ENDDO
- !
- IF (mpime.eq.ionode_id) THEN
- WRITE(iospectral,'(2x,i7,2x,f12.5,2x,E22.14)') iq, ryd2ev * ww, a_all(iw,iq) / ryd2mev ! print to file
- ENDIF
- !
- ENDDO
- !
- IF (iqq == totq ) THEN
- IF (mpime == ionode_id) THEN
- CLOSE(iospectral)
- CLOSE(iospectral_sup)
- ENDIF
- ENDIF
- WRITE(stdout,'(5x,a/)') repeat('-',67)
- !
- ENDDO !smears
!
+ WRITE(stdout,'(5x,a)')
+ IF (.not. ALLOCATED (a_all)) ALLOCATE ( a_all(nw_specfun, totq) )
+ a_all(:,iqq) = zero
+ !
+ IF (iqq == 1 ) THEN
+ IF (mpime.eq.ionode_id) THEN
+ OPEN(unit=iospectral,file='specfun.phon')
+ OPEN(unit=iospectral_sup,file='specfun_sup.phon')
+ WRITE(iospectral, '(/2x,a)') '#Phonon spectral function (meV)'
+ WRITE(iospectral_sup, '(2x,a)') '#Phonon eigenenergies + real and im part of phonon self-energy (meV)'
+ WRITE(iospectral, '(/2x,a)') '#Q-point Energy[eV] A(q,w)[meV^-1]'
+ WRITE(iospectral_sup, '(2x,a)') '#Q-point Mode w_q[eV] w[eV] &
+& Real Sigma(w)[meV] Real Sigma(w=0)[meV] Im Sigma(w)[meV]'
+ ENDIF
+ ENDIF
+ !
+ ! Write to output file
+ !WRITE(stdout,'(/5x,"iq = ",i7," coord.: ", 3f12.7)') iq, xqf(:,iq)
+ WRITE(stdout,'(/5x,a)') 'Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.'
+ DO imode = 1, nmodes
+ wq = wf (imode, iq)
+ ! Real and Im part of Phonon self-energy at 0 freq.
+ WRITE(stdout,105) imode, ryd2ev * wq, ryd2mev * gammar_all(1,imode), ryd2mev * gammai_all(1,imode)
+ ENDDO
+ WRITE( stdout, '(5x,a,i8,a,i8)' ) &
+ 'Number of (k,k+q) pairs on the Fermi surface: ',fermicount, ' out of ', totq
+ !
+ ! Write to support files
+ DO iw = 1, nw_specfun
+ !
+ ww = wmin_specfun + dble (iw-1) * dw
+ !
+ DO imode = 1, nmodes
+ !
+ wq = wf (imode, iq)
+ !a_all(iw,iq) = a_all(iw,iq) + abs( gammai_all(imode,iq,iw) ) / pi / &
+ ! ( ( ww - wq - gammar_all (imode,iq,iw) + gamma0 (imode))**two + (gammai_all(imode,iq,iw) )**two )
+ ! SP: From Eq. 16 of PRB 9, 4733 (1974)
+ ! Also in Eq.2 of PRL 119, 017001 (2017).
+ a_all(iw,iqq) = a_all(iw,iqq) + (1.0d0/pi) * ((2*wq)**2) * ABS( gammai_all(iw, imode) ) / &
+ ( ( ww**2 - wq**2 - 2 * wq * ( gammar_all (iw, imode) - gamma0 (imode) ) )**two +&
+ (2 * wq * gammai_all(iw, imode) )**two )
+ !
+ IF (mpime.eq.ionode_id) THEN
+ WRITE(iospectral_sup,'(2i9,2x,f12.5,2x,f12.5,2x,E22.14,2x,E22.14,2x,E22.14)') iq,&
+ imode, ryd2ev * wq, ryd2ev * ww, ryd2mev * gammar_all(iw, imode), ryd2mev * gamma0(imode),&
+ ryd2mev * gammai_all(iw, imode)
+ ENDIF
+ !
+ ENDDO
+ !
+ IF (mpime.eq.ionode_id) THEN
+ WRITE(iospectral,'(2x,i7,2x,f12.5,2x,E22.14)') iq, ryd2ev * ww, a_all(iw,iqq) / ryd2mev ! print to file
+ ENDIF
+ !
+ ENDDO
+ !
+ IF (iqq == totq ) THEN
+ IF (mpime == ionode_id) THEN
+ CLOSE(iospectral)
+ CLOSE(iospectral_sup)
+ ENDIF
+ ENDIF
+ WRITE(stdout,'(5x,a/)') repeat('-',67)
+ !
100 FORMAT(5x,'Gaussian Broadening: ',f10.6,' eV, ngauss=',i4)
101 FORMAT(5x,'DOS =',f10.6,' states/spin/eV/Unit Cell at Ef=',f10.6,' eV')
105 FORMAT(5x,'Omega( ',i3,' )=',f9.4,' eV Re[Pi]=',f15.6,' meV Im[Pi]=',f15.6,' meV')
diff --git a/EPW/src/superconductivity_aniso.f90 b/EPW/src/superconductivity_aniso.f90
index 7e56cf5a7f3882591e13d46cfabed6c6e6ee75e3..d75b304e14aaa1837f0c3ca2d3e62e727b7780e7 100644
--- a/EPW/src/superconductivity_aniso.f90
+++ b/EPW/src/superconductivity_aniso.f90
@@ -1423,7 +1423,7 @@
degaussw, nkf1, nkf2, nkf3
USE eliashbergcom, ONLY : nkfs, nbndfs, g2, ixkqf, ixqfs, nqfs, w0g, ekfs, ef0, dosef, wsph, &
wkfs, dwsph, a2f_iso, ixkff
- USE constants_epw, ONLY : ryd2ev
+ USE constants_epw, ONLY : ryd2ev, eps2, zero, eps16
USE io_global, ONLY : ionode_id
USE mp_global, ONLY : inter_pool_comm, my_pool_id, npool
USE mp_world, ONLY : mpime
@@ -1599,23 +1599,25 @@
IF ( ALLOCATED(a2f) ) DEALLOCATE( a2f )
IF ( ALLOCATED(a2f_modeproj) ) DEALLOCATE( a2f_modeproj )
!
- nbink = int( 1.25d0 * maxval(lambda_k(:,:)) / 0.005d0 )
- dbink = 1.25d0 * maxval(lambda_k(:,:)) / dble(nbink)
+ nbink = NINT( 1.1d0 * MAXVAL(lambda_k(:,:)) / eps2 ) + 1
+ dbink = 1.1d0 * MAXVAL(lambda_k(:,:)) / DBLE(nbink)
+ !
IF ( .not. ALLOCATED(lambda_k_bin) ) ALLOCATE ( lambda_k_bin(nbink) )
- lambda_k_bin(:) = 0.d0
+ lambda_k_bin(:) = zero
!
!SP : Should be initialized
nbin = 0
- dbin = 0.0_DP
+ dbin = zero
!
IF ( iverbosity == 2 ) THEN
- nbin = int( 1.25d0 * maxval(lambda_max(:)) / 0.005d0 )
- dbin = 1.25d0 * maxval(lambda_max(:)) / dble(nbin)
- IF ( .not. ALLOCATED(lambda_pairs) ) ALLOCATE ( lambda_pairs(nbin) )
- lambda_pairs(:) = 0.d0
+ nbin = nint( 1.1d0 * MAXVAL(lambda_max(:)) / eps2 ) + 1
+ dbin = 1.1d0 * MAXVAL(lambda_max(:)) / dble(nbin)
+ IF ( .not. ALLOCATED(lambda_pairs) ) ALLOCATE ( lambda_pairs(nbin) )
+ lambda_pairs(:) = zero
ENDIF
!
- WRITE(stdout,'(5x,a13,f21.7,a18,f21.7)') 'lambda_max = ', maxval(lambda_max(:)), ' lambda_k_max = ', maxval(lambda_k(:,:))
+ WRITE(stdout,'(5x,a13,f21.7,a18,f21.7)') 'lambda_max = ', maxval(lambda_max(:)), &
+ ' lambda_k_max = ', maxval(lambda_k(:,:))
WRITE(stdout,'(a)') ' '
!
lambda_k(:,:) = 0.d0
@@ -1631,20 +1633,16 @@
CALL lambdar_aniso_ver1( ik, iq, ibnd, jbnd, 0.d0, lambda_eph )
lambda_k(ik,ibnd) = lambda_k(ik,ibnd) + weight * lambda_eph
IF ( iverbosity == 2 ) THEN
- DO ibin = 1, nbin
- sigma = 1.d0 * dbin
- weight = w0gauss( ( lambda_eph - dble(ibin) * dbin ) / sigma, 0 ) / sigma
- lambda_pairs(ibin) = lambda_pairs(ibin) + weight
- ENDDO
+ ibin = NINT( lambda_eph / dbin ) + 1
+ weight = w0g(ibnd,ik) * w0g(jbnd,ixkqf(ik,iq0))
+ lambda_pairs(ibin) = lambda_pairs(ibin) + weight
ENDIF
ENDIF
ENDDO ! jbnd
ENDDO ! iq
- DO ibin = 1, nbink
- sigma = 1.d0 * dbink
- weight = w0gauss( ( lambda_k(ik,ibnd) - dble(ibin) * dbink ) / sigma, 0 ) / sigma
- lambda_k_bin(ibin) = lambda_k_bin(ibin) + weight
- ENDDO
+ ibin = NINT( lambda_k(ik,ibnd) / dbink ) + 1
+ weight = w0g(ibnd,ik)
+ lambda_k_bin(ibin) = lambda_k_bin(ibin) + weight
ENDIF
ENDDO ! ibnd
ENDDO ! ik
@@ -1676,7 +1674,7 @@
OPEN(unit = iufillambda, file = TRIM(prefix)//".lambda_k_pairs", form = 'formatted')
WRITE(iufillambda,'(a12,a30)') '# lambda_nk',' \rho(lambda_nk) scaled to 1'
DO ibin = 1, nbink
- WRITE(iufillambda,'(2f21.7)') dbink*dble(ibin), lambda_k_bin(ibin)/maxval(lambda_k_bin(:))
+ WRITE(iufillambda,'(2f21.7)') dbink*dble(ibin), lambda_k_bin(ibin)/MAXVAL(lambda_k_bin(:))
ENDDO
CLOSE(iufillambda)
!
@@ -1761,9 +1759,4 @@
!
END SUBROUTINE evaluate_a2f_lambda
!
-
-
-
-
- !
END MODULE superconductivity_aniso
diff --git a/EPW/src/transport.f90 b/EPW/src/transport.f90
index 37fb96d04b481c9fc9f3a8839c2829c4a0df57ed..44d34dc1656d6f431f4d1e4dbf19d338e7bfd4b9 100644
--- a/EPW/src/transport.f90
+++ b/EPW/src/transport.f90
@@ -1,6 +1,6 @@
!
! Copyright (C) 2010-2016 Samuel Ponce', Roxana Margine, Carla Verdi, Feliciano Giustino
- ! Copyright (C) 2016-2018 Samuel Ponce'
+ ! Copyright (C) 2016-2019 Samuel Ponce', Roxana Margine, Feliciano Giustino
!
! This file is distributed under the terms of the GNU General Public
! License. See the file `LICENSE' in the root directory of the
diff --git a/EPW/src/transport_iter.f90 b/EPW/src/transport_iter.f90
index 95074da9f563c8dbdc0e66576dd8faac71f6707c..f824401f8fa10eef90ca9e1b7d29f0e6b01477d2 100644
--- a/EPW/src/transport_iter.f90
+++ b/EPW/src/transport_iter.f90
@@ -163,12 +163,17 @@
!! Used for the averaging
REAL(kind=DP) :: ekk2
!! Use for averaging
-
- !
REAL(kind=DP) :: xkf_tmp (3, nkqtotf)
!! Temporary k-point coordinate (dummy variable)
REAL(kind=DP) :: wkf_tmp(nkqtotf)
!! Temporary k-weights (dummy variable)
+ REAL(kind=DP) :: dfnk
+ !! df/de
+ REAL(kind=DP) :: etemp
+ !! Temperature
+ REAL(KIND=DP), EXTERNAL :: w0gauss
+ !! The derivative of wgauss: an approximation to the delta function
+ ! Gather all the k-point coordinate from all the pools
!
! Gather all the k-point coordinate from all the pools
xkf_all(:,:) = zero
@@ -236,7 +241,6 @@
CALL kpmq_map( xkf_all(:, 2*ik-1 ), xqf (:, iq), +1, nkq_abs )
s_BZtoIBZ_full(:,:,ind) = s_BZtoIBZ(:,:,nkq_abs)
ixkqf_tr(ind) = BZtoIBZ(nkq_abs)
- !print*,'ind iq ik ixkqf_tr ',ind, iq, ik, ixkqf_tr(ind), s_BZtoIBZ_full(1,1,ind)
ENDDO
!
ENDIF
@@ -244,7 +248,6 @@
! First computes the SERTA solution as the first step of the IBTE
F_SERTA(:,:,:,:) = zero
tmp(:,:,:) = zero
- !tmp2(:,:,:,:,:) = zero
!
DO ind=1, nind
iq = sparse_q( ind )
@@ -254,15 +257,7 @@
itemp = sparse_t( ind )
!
tmp(ibnd, ik, itemp) = tmp(ibnd, ik, itemp) + trans_prob(ind)
- !tmp2(jbnd, ibnd, itemp, ik, iq) = trans_prob(ind)
-
- !IF (ik==2 .and. ibnd ==2 .and. itemp ==2) print*,'ind tmp ', ind, tmp(ibnd, ik, itemp)
-
- !IF (ik==2) print*,ind, trans_prob(ind)
- !print*,'ind iq ik ibnd jbnd itemp ',ind, iq, ik, ibnd, jbnd, itemp
- !print*,'tmp ',tmp(ibnd, ik, itemp)
ENDDO
- !print*,'ind=10, iq==1, ik==2, ibnd=2, jbnd=2, itemp==1 ', trans_prob(10)
!
CALL mp_sum(tmp, world_comm)
!
@@ -274,11 +269,11 @@
DO ik = 1, nkqtotf/2
!
DO ibnd = 1, ibndmax-ibndmin+1
- ekk = etf_all (ibndmin-1+ibnd, ik)
+ ekk = etf_all (ibnd, ik)
n = 0
tmp2 = 0.0_DP
DO jbnd = 1, ibndmax-ibndmin+1
- ekk2 = etf_all (ibndmin-1+jbnd, ik)
+ ekk2 = etf_all (jbnd, ik)
IF ( ABS(ekk2-ekk) < eps6 ) THEN
n = n + 1
tmp2 = tmp2 + tmp(ibnd,ik,itemp)
@@ -293,12 +288,15 @@
ENDDO ! nkqtotf
ENDDO ! itemp
!
- !
- DO itemp=1, nstemp
+ DO itemp=1, nstemp
+ etemp = transp_temp(itemp)
DO ik=1, nkqtotf/2
DO ibnd=1, ibndmax-ibndmin+1
IF ( ABS(tmp(ibnd, ik, itemp)) > eps160 ) THEN
- F_SERTA(:, ibnd, ik, itemp) = vkk_all(:,ibnd,ik) / ( two * tmp(ibnd,ik,itemp) )
+ ekk = etf_all (ibnd, ik) - ef0(itemp)
+ dfnk = w0gauss( ekk / etemp, -99 ) / etemp
+ F_SERTA(:, ibnd, ik, itemp) = dfnk * vkk_all(:,ibnd,ik) / ( two * tmp(ibnd,ik,itemp) )
+ !F_SERTA(:, ibnd, ik, itemp) = vkk_all(:,ibnd,ik) / ( two * tmp(ibnd,ik,itemp) )
ENDIF
ENDDO
!IF (itemp==2) print*,'ik ',ik, SUM(F_SERTA(:,:,ik,2)), SUM(vkk_all(:,:,ik))
diff --git a/HP/src/hp_check_type.f90 b/HP/src/hp_check_type.f90
index 75f5ea62be68ebfa9c67781d4aa19261fb2b0210..3e34796772447d80c8d4a089a4c5ca45a3c86f0b 100644
--- a/HP/src/hp_check_type.f90
+++ b/HP/src/hp_check_type.f90
@@ -25,7 +25,7 @@ subroutine hp_check_type(na)
!
USE ions_base, ONLY : ityp, nat, ntyp => nsp, tau
USE io_global, ONLY : stdout
- USE symm_base, ONLY : nsym, set_sym
+ USE symm_base, ONLY : nsym, set_sym, ft, ftau
USE noncollin_module, ONLY : nspin_mag, m_loc
USE fft_base, ONLY : dfftp
USE ldaU_hp, ONLY : recalc_sym
@@ -35,7 +35,7 @@ subroutine hp_check_type(na)
INTEGER, INTENT(IN) :: na ! the atom under consideration
!
INTEGER :: nt, ityp_save, nsym_old
- INTEGER :: na_, nt_
+ INTEGER :: na_, nt_, isym
!
IF (nsym==1) RETURN
!
@@ -91,6 +91,15 @@ subroutine hp_check_type(na)
!
DEALLOCATE(m_loc)
!
+ ! Since symmetries were recomputed, we need to reinitialize vectors
+ ! of fractional translations
+ !
+ DO isym = 1, nsym
+ ftau(1,isym) = NINT( ft(1,isym) * DBLE(dfftp%nr1) )
+ ftau(2,isym) = NINT( ft(2,isym) * DBLE(dfftp%nr2) )
+ ftau(3,isym) = NINT( ft(3,isym) * DBLE(dfftp%nr3) )
+ ENDDO
+ !
IF ( nsym == nsym_old ) THEN
WRITE( stdout, '(5x,"The number of symmetries is the same as in PWscf :")')
recalc_sym = .false.
diff --git a/HP/src/hp_init_q.f90 b/HP/src/hp_init_q.f90
index 0f9d085da75190f44812750076180203e0e8539c..c0e5990b7329523b22fd41009dc1cc11a559fb4e 100644
--- a/HP/src/hp_init_q.f90
+++ b/HP/src/hp_init_q.f90
@@ -83,6 +83,15 @@ SUBROUTINE hp_init_q()
!
ENDIF
!
+ ! Read the wavefunctions evc (at k) and evq (at k+q).
+ ! Note: this is important because if nksq=1 then evc and evq are read only
+ ! once (here) and then used throughout the code. This may happen e.g.
+ ! when the ratio of the total number of k points (without k+q) and k pools
+ ! is not an integer number (as a consequence some k pools will have nksq=1).
+ !
+ CALL get_buffer (evc, lrwfc, iuwfc, ikk)
+ IF (.NOT.lgamma .AND. nksq.EQ.1) CALL get_buffer (evq, lrwfc, iuwfc, ikq)
+ !
! 2) USPP: Compute the becp terms which are used in the rest of the code
!
IF (okvan) THEN
@@ -91,10 +100,6 @@ SUBROUTINE hp_init_q()
!
CALL init_us_2 (npw, igk_k(1,ikk), xk(1,ikk), vkb)
!
- ! Read the wavefunctions evc at k
- !
- CALL get_buffer (evc, lrwfc, iuwfc, ikk)
- !
! becp1 = <vkb|evc>
!
CALL calbec (npw, vkb, evc, becp1(ik))
diff --git a/Modules/cell_base.f90 b/Modules/cell_base.f90
index ae3a412bf9dc0f01b59017e2c1a358f94bbf6699..8800679626611f15cd9f2829a53ddab1a3f08421 100644
--- a/Modules/cell_base.f90
+++ b/Modules/cell_base.f90
@@ -226,6 +226,8 @@
at(:,:) = at(:,:) / alat
!
END IF
+ IF ( alat < 1.9_dp ) CALL infomsg ('cell_base_init', &
+ 'DEPRECATED: use true lattice parameter, not A to a.u. conversion factor')
!
! ... Generate the reciprocal lattice vectors
!
diff --git a/Modules/control_flags.f90 b/Modules/control_flags.f90
index 16c68d0ba317c83b42272c45c32967589402f74b..4b5d8eef88031fc3ee7d5fc5351cba52b5d16a2c 100644
--- a/Modules/control_flags.f90
+++ b/Modules/control_flags.f90
@@ -39,7 +39,7 @@ MODULE control_flags
tnosee, tnosep, tnoseh, tcp, tcap, &
tconvthrs, tolp, convergence_criteria, tionstep, nstepe, &
tscreen, gamma_only, force_pairing, lecrpa, tddfpt, smallmem, &
- tfirst, tlast, tprint, trescalee
+ tfirst, tlast, tprint, trescalee, max_xml_steps
!
PUBLIC :: fix_dependencies, check_flags
PUBLIC :: tksw, trhor, thdyn, trhow
@@ -97,6 +97,7 @@ MODULE control_flags
INTEGER :: ndr = 0 !
INTEGER :: nomore = 0 !
INTEGER :: iprint =10 ! print output every iprint step
+ INTEGER :: max_xml_steps =0 ! max number of dynamics included in xml file if 0 all steps are included.
INTEGER :: isave = 0 ! write restart to ndr unit every isave step
!
! ... .TRUE. if only gamma point is used
diff --git a/Modules/funct.f90 b/Modules/funct.f90
index 6e686ee5783739ac721e05cb4c0262472e49fe55..a68f235bcddda4c2eaacad2f7cb38b8533f5382b 100644
--- a/Modules/funct.f90
+++ b/Modules/funct.f90
@@ -3587,7 +3587,7 @@ end subroutine tau_xc_array_spin
if (rup.gt.eps.and.sup.gt.eps) then
drup = min (1.d-4, 1.d-2 * rup)
- dsup = min (1.d-4, 1.d-2 * sdw)
+ dsup = min (1.d-4, 1.d-2 * sup)
!
! derivatives of exchange: up part
!
diff --git a/Modules/version.f90 b/Modules/version.f90
index 4553bff703e87dd2118ac89459e1ef7b54175b92..f4ddcf18e41b1c5c7abd2b7fd0647051f90d2754 100644
--- a/Modules/version.f90
+++ b/Modules/version.f90
@@ -12,7 +12,7 @@ MODULE global_version
!
SAVE
!
- CHARACTER (LEN=6) :: version_number = '6.4'
+ CHARACTER (LEN=6) :: version_number = '6.4.1'
CHARACTER (LEN=12) :: svn_revision = 'unknown'
!
END MODULE global_version
diff --git a/PHonon/Gamma/Makefile b/PHonon/Gamma/Makefile
index 7c8a16d5c7b9e65bb1f086512a373fd76f06c058..ca080c9f70f58a48661835ab577b476847c39d45 100644
--- a/PHonon/Gamma/Makefile
+++ b/PHonon/Gamma/Makefile
@@ -30,7 +30,6 @@ generate_dynamical_matrix.o \
generate_effective_charges.o \
h_h.o \
macro.o \
-phcg.o \
rhod2vkb.o \
solve_e.o \
solve_ph.o \
@@ -44,9 +43,9 @@ TLDEPS= pwlibs
all : tldeps phcg.x
-phcg.x : libphcg.a $(PWOBJS) $(QEMODS) $(LIBOBJS)
- $(LD) $(LDFLAGS) -o phcg.x \
- libphcg.a $(PWOBJS) $(QEMODS) $(LIBOBJS) $(QELIBS)
+phcg.x : phcg.o libphcg.a $(PWOBJS) $(QEMODS) $(LIBOBJS)
+ $(LD) $(LDFLAGS) -o $@ \
+ phcg.o libphcg.a $(PWOBJS) $(QEMODS) $(LIBOBJS) $(QELIBS)
- ( cd ../../bin ; ln -fs ../PHonon/Gamma/phcg.x . )
tldeps :
if test -n "$(TLDEPS)" ; then \
diff --git a/PHonon/PH/phq_readin.f90 b/PHonon/PH/phq_readin.f90
index bfe0376826dd3124c7d6b1936a9803e49461a9ec..57ed4dd3e3596277014ff0331676111932dd142a 100644
--- a/PHonon/PH/phq_readin.f90
+++ b/PHonon/PH/phq_readin.f90
@@ -725,7 +725,7 @@ SUBROUTINE phq_readin()
IF (lmovecell) CALL errore('phq_readin', &
'The phonon code is not working after vc-relax',1)
- IF (reduce_io) io_level=0
+ IF (reduce_io) io_level=1
if(elph_mat.and.fildvscf.eq.' ') call errore('phq_readin',&
'el-ph with wannier requires fildvscf',1)
diff --git a/PP/src/Makefile b/PP/src/Makefile
index 6d62af60b54a200723703101a0125ba5ca3fe034..7a282547bf686c8394ce78115bec217a6c00e8b3 100644
--- a/PP/src/Makefile
+++ b/PP/src/Makefile
@@ -13,7 +13,6 @@ add_shift_cc.o \
add_shift_lc.o \
add_shift_us.o \
atomic_wfc_nc_proj.o \
-cft.o \
chdens_module.o \
chdens_bspline.o \
compute_ppsi.o \
diff --git a/PP/src/addusdens1d.f90 b/PP/src/addusdens1d.f90
index 851ccde653c89dfb1f23a0f8527dea74055c631f..27e1689b293162ccef75ef89a038f67f2c8a93c2 100644
--- a/PP/src/addusdens1d.f90
+++ b/PP/src/addusdens1d.f90
@@ -15,16 +15,17 @@ SUBROUTINE addusdens1d (plan, prho)
! reciprocal space. The output of the routine is the planar average
! of the charge density.
!
- USE kinds, ONLY: DP
+ USE kinds, ONLY: DP
USE cell_base, ONLY: alat, omega, celldm
USE ions_base, ONLY: nat, ntyp => nsp, ityp
USE fft_base, ONLY: dfftp
- USE gvect, ONLY: eigts1, eigts2, eigts3, mill
- USE lsda_mod, ONLY: current_spin
- USE uspp, ONLY: becsum
- USE uspp_param, ONLY: upf, lmaxq, nh
- USE mp_bands, ONLY : intra_bgrp_comm
- USE mp, ONLY : mp_sum
+ USE fft_scalar,ONLY: cft_1z
+ USE gvect, ONLY: eigts1, eigts2, eigts3, mill
+ USE lsda_mod, ONLY: current_spin
+ USE uspp, ONLY: becsum
+ USE uspp_param,ONLY: upf, lmaxq, nh
+ USE mp_bands, ONLY: intra_bgrp_comm
+ USE mp, ONLY: mp_sum
!
! here the local variables
@@ -43,22 +44,18 @@ SUBROUTINE addusdens1d (plan, prho)
! the correspondence 1D with the 3D shells
! correspondence 1D FFT mesh G with array G
- real(DP) :: plan (dfftp%nr3), dimz, g1d (3, dfftp%nr3), gg1d (dfftp%nr3), qmod (dfftp%nr3), &
- qgr (dfftp%nr3), qgi (dfftp%nr3), ylmk0 (dfftp%nr3, lmaxq * lmaxq)
+ real(DP), intent(out) :: plan (dfftp%nr3)
! the planar average
+ real(dp) :: dimz, g1d (3, dfftp%nr3), gg1d (dfftp%nr3), &
+ qmod (dfftp%nr3), ylmk0 (dfftp%nr3, lmaxq * lmaxq)
! dimension along z
! ngm1d 3D vectors with the 1D G of this proc
! ngm1d scalars with the modulus of 1D G
! the modulus of G
- ! real and
- ! imaginary part of qg
! the spherical harmonics
-
- COMPLEX(DP) :: skk, prho (dfftp%nnr), qg (dfftp%nr3x)
- ! auxiliary variable
- ! auxiliary space for the charge
- ! auxiliary variable for FFT
- ! auxiliary variable for rho(G,nspin)
+ COMPLEX(DP), intent(in) :: prho (dfftp%nnr)
+ !
+ COMPLEX(dp) :: skk, qg (dfftp%nr3x), qgout (dfftp%nr3)
COMPLEX(DP), ALLOCATABLE :: qgm(:), aux (:)
@@ -108,17 +105,14 @@ SUBROUTINE addusdens1d (plan, prho)
ELSE
qg(:) = (0.d0, 0.d0)
ENDIF
+ DEALLOCATE (aux, qgm)
CALL mp_sum( qg, intra_bgrp_comm )
+ !
+ CALL cft_1z (qg, 1, dfftp%nr3, dfftp%nr3, 1, qgout)
dimz = alat * celldm (3)
DO ig = 1, dfftp%nr3
- qgr (ig) = dble (qg (ig) )
- qgi (ig) = aimag (qg (ig) )
+ plan (ig) = DBLE(qgout(ig)) * omega / dimz
ENDDO
- CALL cft (qgr, qgi, dfftp%nr3, dfftp%nr3, dfftp%nr3, 1)
- DO ig = 1, dfftp%nr3
- plan (ig) = qgr (ig) * omega / dimz
- ENDDO
- DEALLOCATE (aux, qgm)
RETURN
END SUBROUTINE addusdens1d
diff --git a/PP/src/average.f90 b/PP/src/average.f90
index 7c1f77e3b9536406df693e1743f9fcb7bc5beac7..acec6f723d193bb59700edee98d44683239e0b40 100644
--- a/PP/src/average.f90
+++ b/PP/src/average.f90
@@ -47,7 +47,6 @@ PROGRAM average
! awin the size of the window for macroscopic average (a.u.)
!
USE kinds, ONLY : DP
- USE klist, ONLY : nks
USE parameters, ONLY : ntypx
USE constants, ONLY : pi, eps8
USE run_info, ONLY : title
@@ -58,15 +57,14 @@ PROGRAM average
USE gvecs, ONLY : doublegrid, gcutms, dual
USE gvecw, ONLY : ecutwfc
USE fft_base, ONLY : dfftp
- USE fft_types, ONLY : fft_type_allocate
- USE fft_base, ONLY : dffts
+ USE fft_scalar, ONLY : cft_1z
USE ions_base, ONLY : zv, tau, nat, ntyp => nsp, ityp, atm
USE lsda_mod, ONLY : nspin
USE wavefunctions, ONLY : psic
USE io_files, ONLY : iunpun
USE scf, ONLY : rho
USE mp_global, ONLY : mp_startup
- USE mp_bands, ONLY : intra_bgrp_comm, nyfft
+ USE mp_world, ONLY : nproc
USE environment, ONLY : environment_start, environment_end
USE control_flags, ONLY : gamma_only
!
@@ -96,6 +94,7 @@ PROGRAM average
! the function to average in thick mesh (real part)
! the function to average in thick mesh (im. part)
! the macroscopic average
+ COMPLEX(DP), ALLOCATABLE :: func(:), funco(:)
REAL(DP), ALLOCATABLE :: funcr (:), funci (:)
! the function to average (real part)
! the function to average (im. part)
@@ -113,18 +112,19 @@ PROGRAM average
!
! initialise environment
!
-#if defined(__MPI)
CALL mp_startup ( )
-#endif
CALL environment_start ( 'AVERAGE' )
!
- ! Works for parallel machines but only for one processor !!!
+ ! Works for parallel machines but only for one processor
+ !
+ IF ( nproc > 1 ) CALL errore ('average ', 'run on a single processor', 1)
!
IF ( ionode ) THEN
!
inunit = 5
+ CALL input_from_file ( )
READ (inunit, *, err = 1100, iostat = ios) nfile
- IF ( nfile <=0 ) CALL errore ('average ', 'nfile is wrong ', 1)
+ IF ( nfile <=0 ) CALL errore ('average ', 'nfile is wrong, or bad input redirection ', 1)
ALLOCATE ( filename (nfile) )
ALLOCATE ( weight (nfile) )
DO ifile = 1, nfile
@@ -179,26 +179,18 @@ PROGRAM average
ELSE
gcutms = gcutm
ENDIF
- ! not sure whether this is the correct thing to do in presence
- ! of a double grid, but the info on nrXs is not read from file!
- dffts%nr1 = dfftp%nr1 ; dffts%nr2 = dfftp%nr2 ; dffts%nr3 = dfftp%nr3
- ! as above: this can be used in allocate_fft
- nks = 0
-
+ !
CALL volume (alat, at (1, 1), at (1, 2), at (1, 3), omega)
-
- CALL fft_type_allocate ( dfftp, at, bg, gcutm, intra_bgrp_comm, nyfft=nyfft )
- CALL fft_type_allocate ( dffts, at, bg, gcutms, intra_bgrp_comm, nyfft=nyfft )
- CALL data_structure ( gamma_only )
- CALL allocate_fft ( )
!
- rho%of_r = 0.d0
+ dfftp%nnr = dfftp%nr1x*dfftp%nr2x*dfftp%nr3x
+ ALLOCATE (rho%of_r(dfftp%nnr,1), psic(dfftp%nnr) )
+ rho%of_r = 0.0_dp
!
! Read first file
!
- CALL plot_io (filename (1), title, dfftp%nr1x, dfftp%nr2x, dfftp%nr3x, dfftp%nr1, dfftp%nr2, &
- dfftp%nr3, nat, ntyp, ibrav, celldm, at, gcutm, dual, ecutwfc, &
- plot_num, atm, ityp, zv, tau, rho%of_r, -1)
+ CALL plot_io (filename (1), title, dfftp%nr1x, dfftp%nr2x, dfftp%nr3x, &
+ dfftp%nr1, dfftp%nr2, dfftp%nr3, nat, ntyp, ibrav, celldm, at, &
+ gcutm, dual, ecutwfc, plot_num, atm, ityp, zv, tau, rho%of_r, -1)
!
DO ir = 1, dfftp%nnr
psic (ir) = weight (1) * cmplx(rho%of_r(ir, 1),0.d0,kind=DP)
@@ -298,9 +290,12 @@ PROGRAM average
!
! add more points to compute the macroscopic average
!
- CALL cft (funcr, funci, nfft, nfft, nfft, - 1)
- CALL dscal (nfft, 1.d0 / nfft, funcr, 1)
- CALL dscal (nfft, 1.d0 / nfft, funci, 1)
+ ALLOCATE ( func(nfft), funco(nfft) )
+ func(:) = CMPLX ( funcr, funci, KIND=dp )
+ CALL cft_1z( func,1,nfft,nfft,-1,funco)
+ funcr(:) = REAL ( funco(:), KIND=dp )
+ funci(:) =AIMAG ( funco(:) )
+ DEALLOCATE ( func, funco )
!
DO k = 1, npt
IF (k<=nfft / 2) THEN
@@ -324,7 +319,12 @@ PROGRAM average
gim (nfft / 2 + 1) = funci (nfft / 2 + 1)
ENDIF
!
- CALL cft (gre, gim, npt, npt, npt, 1)
+ ALLOCATE ( func(npt), funco(npt) )
+ func(:) = CMPLX ( gre(:), gim(:), KIND=dp )
+ CALL cft_1z( func,1,npt,npt,1,funco)
+ gre(:) = REAL ( funco(:), KIND=dp )
+ gim(:) =AIMAG ( funco(:) )
+ DEALLOCATE ( func, funco )
!
END IF
!
diff --git a/PP/src/cft.f90 b/PP/src/cft.f90
deleted file mode 100644
index 82f239a68be7647b367ade6747319dec744b817f..0000000000000000000000000000000000000000
--- a/PP/src/cft.f90
+++ /dev/null
@@ -1,583 +0,0 @@
-!
-! (C) Copyright CERN except where explicitly stated otherwise.
-! Permission to use and/or redistribute this work is granted
-! under the terms of the GNU General Public License, The software
-! and documentation made available under the terms of this license
-! are provided with no warranty.
-!
-! Slightly modified version of routine D702 of CERN lib
-!
-!----------------------------------------------------------------------
-SUBROUTINE cft (a, b, ntot, n, nspan, isn)
- !----------------------------------------------------------------------
- !
- ! multivariate complex fourier transform, computed in place
- ! using mixed-radix fast fourier transform algorithm.
- ! by R. C. Singleton, Stanford Research Institute, oct. 1968
- ! arrays a and b originally hold the real and imaginary
- ! components of the data, and return the real and
- ! imaginary components of the resulting fourier coefficients.
- ! multivariate data is indexed according to the fortran
- ! array element successor function, without limit
- ! on the number of implied multiple subscripts.
- ! the subroutine is called once for each variate.
- ! the calls for a multivariate transform may be in any order.
- ! ntot is the total number of complex data values.
- ! n is the dimension of the current variable.
- ! nspan/n is the spacing of consucutive data values
- ! while indexing the current variable.
- ! the sign of isn determines the sign of the complex
- ! exponential, and the magnitude of isn is normally one.
- !
- ! for a single-variate transform,
- ! ntot = n = nspan = (number of complex data values), f.g.
- ! call cft(a,b,n,n,n,1)
- !
- ! a tri-variate transform with a(n1,n2,n3), b(n1,n2,n3)
- ! is computed by
- ! call cft(a,b,n1*n2*n3,n1,n1,1)
- ! call cft(a,b,n1*n2*n3,n2,n1*n2,1)
- ! call cft(a,b,n1*n2*n3,n3,n1*n2*n3,1)
- !
- ! the data may alternatively be stored in a single complex
- ! array a, then the magnitude of isn changed to two to
- ! give the correct indexing increment and the second parameter
- ! used to pass the initial address for the sequence of
- ! imaginary values, e.g.
- !
- ! real s(2)
- ! equivalence (a,s)
- ! ....
- ! ....
- ! call cft(a,s(2),ntot,n,nspan,2)
- !
- ! arrays at(maxf), ck(maxf), bt(maxf), sk(maxf), and np(maxp)
- ! are used for temporary storage. if the available storage
- ! is insufficient, the program is terminated by a stop.
- ! maxf must be .ge. the maximum prime factor of n.
- ! maxp must be .gt. the number of prime factors of n.
- ! in addition, if the square-free portion k cf n has two or
- ! more prime factors, then maxp must be .ge. k-1.
- ! array storage in nfac for a maximum of 11 factors of n.
- ! if n has more than one square-free factor, the product of the
- ! square-free factors must be .le. 210
- !
- USE kinds
- IMPLICIT real(DP)(a - h, o - z)
- real(dp):: a ( * ), b ( * )
- integer :: nfac (11), np (209)
- ! array storage for maximum prime factor of 23
- real(dp):: at (23), ck (23), bt (23), sk (23), s1
- integer :: n,ntot, nspan, isn
- integer :: i,ii,j,jc,jf,jj,k,k1,k2,k3,k4,kk,kt,m,maxf,maxp,inc,ks,kspan,kspnn,nni,nt,nn
- EQUIVALENCE (i, ii)
- ! the following two constants should agree with the array dimension
- maxf = 23
- maxp = 209
- IF (n<2) RETURN
- inc = isn
- ! the following constants are rad = 2.*pi , s72 = sin(0.4*pi) ,
- ! c72 = cos(0.4*pi) and s120 = sqrt(0.75)
- rad = 6.2831853071796d0
- s72 = 0.95105651629515d0
- c72 = 0.30901699437495d0
- s120 = 0.86602540378444d0
- IF (isn>=0) GOTO 10
- s72 = - s72
- s120 = - s120
- rad = - rad
- inc = - inc
-10 nt = inc * ntot
- ks = inc * nspan
- kspan = ks
- nn = nt - inc
- jc = ks / n
- radf = rad * dble (jc) * 0.5d0
- i = 0
- jf = 0
- ! determine the factors of n
- m = 0
- k = n
- GOTO 20
-15 m = m + 1
- nfac (m) = 4
- k = k / 16
-20 IF (k - (k / 16) * 16==0) GOTO 15
- j = 3
- jj = 9
- GOTO 30
-25 m = m + 1
- nfac (m) = j
- k = k / jj
-30 IF (mod (k, jj) ==0) GOTO 25
- j = j + 2
- jj = j**2
- IF (jj<=k) GOTO 30
- IF (k>4) GOTO 40
- kt = m
- nfac (m + 1) = k
- IF (k/=1) m = m + 1
- GOTO 80
-40 IF (k - (k / 4) * 4/=0) GOTO 50
- m = m + 1
- nfac (m) = 2
- k = k / 4
-50 kt = m
- j = 2
-60 IF (mod (k, j) /=0) GOTO 70
- m = m + 1
- nfac (m) = j
- k = k / j
-70 j = ( (j + 1) / 2) * 2 + 1
- IF (j<=k) GOTO 60
-80 IF (kt==0) GOTO 100
- j = kt
-90 m = m + 1
- nfac (m) = nfac (j)
- j = j - 1
- IF (j/=0) GOTO 90
- ! compute fourier transform
-100 sd = radf / dble (kspan)
- cd = 2.0d0 * sin (sd) **2
- sd = sin (sd+sd)
- kk = 1
- i = i + 1
- IF (nfac (i) /=2) GOTO 400
- ! transform for factor of 2 (including rotation factor)
- kspan = kspan / 2
- k1 = kspan + 2
-210 k2 = kk + kspan
- ak = a (k2)
- bk = b (k2)
- a (k2) = a (kk) - ak
- b (k2) = b (kk) - bk
- a (kk) = a (kk) + ak
- b (kk) = b (kk) + bk
- kk = k2 + kspan
- IF (kk<=nn) GOTO 210
- kk = kk - nn
- IF (kk<=jc) GOTO 210
- IF (kk>kspan) GOTO 800
-220 c1 = 1.0d0 - cd
- s1 = sd
-230 k2 = kk + kspan
- ak = a (kk) - a (k2)
- bk = b (kk) - b (k2)
- a (kk) = a (kk) + a (k2)
- b (kk) = b (kk) + b (k2)
- a (k2) = c1 * ak - s1 * bk
- b (k2) = s1 * ak + c1 * bk
- kk = k2 + kspan
- IF (kk<nt) GOTO 230
- k2 = kk - nt
- c1 = - c1
- kk = k1 - k2
- IF (kk>k2) GOTO 230
- ak = c1 - (cd * c1 + sd * s1)
- s1 = (sd * c1 - cd * s1) + s1
- ! the following three statements compensate for truncation
- ! error. if rounded arithmetic is used, they may be deleted.
- c1 = 0.5d0 / (ak**2 + s1**2) + 0.5d0
- s1 = c1 * s1
- c1 = c1 * ak
- ! next statement should be deleted if non-rounded arithmetic is use
- ! c1=ak
- kk = kk + jc
- IF (kk<k2) GOTO 230
- k1 = k1 + inc + inc
- kk = (k1 - kspan) / 2 + jc
- IF (kk<=jc + jc) GOTO 220
- GOTO 100
- ! transform for factor of 3 (optional code)
-320 k1 = kk + kspan
- k2 = k1 + kspan
- ak = a (kk)
- bk = b (kk)
- aj = a (k1) + a (k2)
- bj = b (k1) + b (k2)
- a (kk) = ak + aj
- b (kk) = bk + bj
- ak = - 0.5d0 * aj + ak
- bk = - 0.5d0 * bj + bk
- aj = (a (k1) - a (k2) ) * s120
- bj = (b (k1) - b (k2) ) * s120
- a (k1) = ak - bj
- b (k1) = bk + aj
- a (k2) = ak + bj
- b (k2) = bk - aj
- kk = k2 + kspan
- IF (kk<nn) GOTO 320
- kk = kk - nn
- IF (kk<=kspan) GOTO 320
- GOTO 700
- ! transform for factor of 4
-400 IF (nfac (i) /=4) GOTO 600
- kspnn = kspan
- kspan = kspan / 4
-410 c1 = 1.0d0
- s1 = 0
-420 k1 = kk + kspan
- k2 = k1 + kspan
- k3 = k2 + kspan
- akp = a (kk) + a (k2)
- akm = a (kk) - a (k2)
- ajp = a (k1) + a (k3)
- ajm = a (k1) - a (k3)
- a (kk) = akp + ajp
- ajp = akp - ajp
- bkp = b (kk) + b (k2)
- bkm = b (kk) - b (k2)
- bjp = b (k1) + b (k3)
- bjm = b (k1) - b (k3)
- b (kk) = bkp + bjp
- bjp = bkp - bjp
- IF (isn<0) GOTO 450
- akp = akm - bjm
- akm = akm + bjm
- bkp = bkm + ajm
- bkm = bkm - ajm
- IF (s1==0.0d0) GOTO 460
-430 a (k1) = akp * c1 - bkp * s1
- b (k1) = akp * s1 + bkp * c1
- a (k2) = ajp * c2 - bjp * s2
- b (k2) = ajp * s2 + bjp * c2
- a (k3) = akm * c3 - bkm * s3
- b (k3) = akm * s3 + bkm * c3
- kk = k3 + kspan
- IF (kk<=nt) GOTO 420
-440 c2 = c1 - (cd * c1 + sd * s1)
- s1 = (sd * c1 - cd * s1) + s1
- ! the following three statements compensate for truncation
- ! error. if rounded arithmetic is used, they may be deleted.
- c1 = 0.5d0 / (c2**2 + s1**2) + 0.5d0
- s1 = c1 * s1
- c1 = c1 * c2
- ! next statement should be deleted if non-rounded arithmetic is use
- ! c1=c2
- c2 = c1**2 - s1**2
- s2 = 2.0d0 * c1 * s1
- c3 = c2 * c1 - s2 * s1
- s3 = c2 * s1 + s2 * c1
- kk = kk - nt + jc
- IF (kk<=kspan) GOTO 420
- kk = kk - kspan + inc
- IF (kk<=jc) GOTO 410
- IF (kspan==jc) GOTO 800
- GOTO 100
-450 akp = akm + bjm
- akm = akm - bjm
- bkp = bkm - ajm
- bkm = bkm + ajm
- IF (s1/=0.0) GOTO 430
-460 a (k1) = akp
- b (k1) = bkp
- a (k2) = ajp
- b (k2) = bjp
- a (k3) = akm
- b (k3) = bkm
- kk = k3 + kspan
- IF (kk<=nt) GOTO 420
- GOTO 440
- ! transform for factor of 5 (optional code)
-510 c2 = c72**2 - s72**2
- s2 = 2.0d0 * c72 * s72
-520 k1 = kk + kspan
- k2 = k1 + kspan
- k3 = k2 + kspan
- k4 = k3 + kspan
- akp = a (k1) + a (k4)
- akm = a (k1) - a (k4)
- bkp = b (k1) + b (k4)
- bkm = b (k1) - b (k4)
- ajp = a (k2) + a (k3)
- ajm = a (k2) - a (k3)
- bjp = b (k2) + b (k3)
- bjm = b (k2) - b (k3)
- aa = a (kk)
- bb = b (kk)
- a (kk) = aa + akp + ajp
- b (kk) = bb + bkp + bjp
- ak = akp * c72 + ajp * c2 + aa
- bk = bkp * c72 + bjp * c2 + bb
- aj = akm * s72 + ajm * s2
- bj = bkm * s72 + bjm * s2
- a (k1) = ak - bj
- a (k4) = ak + bj
- b (k1) = bk + aj
- b (k4) = bk - aj
- ak = akp * c2 + ajp * c72 + aa
- bk = bkp * c2 + bjp * c72 + bb
- aj = akm * s2 - ajm * s72
- bj = bkm * s2 - bjm * s72
- a (k2) = ak - bj
- a (k3) = ak + bj
- b (k2) = bk + aj
- b (k3) = bk - aj
- kk = k4 + kspan
- IF (kk<nn) GOTO 520
- kk = kk - nn
- IF (kk<=kspan) GOTO 520
- GOTO 700
- ! transform for odd factors
-600 k = nfac (i)
- kspnn = kspan
- kspan = kspan / k
- IF (k==3) GOTO 320
- IF (k==5) GOTO 510
- IF (k==jf) GOTO 640
- jf = k
- s1 = rad / dble (k)
- c1 = cos (s1)
- s1 = sin (s1)
- IF (jf>maxf) GOTO 998
- ck (jf) = 1.0d0
- sk (jf) = 0.0d0
- j = 1
-630 ck (j) = ck (k) * c1 + sk (k) * s1
- sk (j) = ck (k) * s1 - sk (k) * c1
- k = k - 1
- ck (k) = ck (j)
- sk (k) = - sk (j)
- j = j + 1
- IF (j<k) GOTO 630
-640 k1 = kk
- k2 = kk + kspnn
- aa = a (kk)
- bb = b (kk)
- ak = aa
- bk = bb
- j = 1
- k1 = k1 + kspan
-650 k2 = k2 - kspan
- j = j + 1
- at (j) = a (k1) + a (k2)
- ak = at (j) + ak
- bt (j) = b (k1) + b (k2)
- bk = bt (j) + bk
- j = j + 1
- at (j) = a (k1) - a (k2)
- bt (j) = b (k1) - b (k2)
- k1 = k1 + kspan
- IF (k1<k2) GOTO 650
- a (kk) = ak
- b (kk) = bk
- k1 = kk
- k2 = kk + kspnn
- j = 1
-660 k1 = k1 + kspan
- k2 = k2 - kspan
- jj = j
- ak = aa
- bk = bb
- aj = 0.0d0
- bj = 0.0d0
- k = 1
-670 k = k + 1
- ak = at (k) * ck (jj) + ak
- bk = bt (k) * ck (jj) + bk
- k = k + 1
- aj = at (k) * sk (jj) + aj
- bj = bt (k) * sk (jj) + bj
- jj = jj + j
- IF (jj>jf) jj = jj - jf
- IF (k<jf) GOTO 670
- k = jf - j
- a (k1) = ak - bj
- b (k1) = bk + aj
- a (k2) = ak + bj
- b (k2) = bk - aj
- j = j + 1
- IF (j<k) GOTO 660
- kk = kk + kspnn
- IF (kk<=nn) GOTO 640
- kk = kk - nn
- IF (kk<=kspan) GOTO 640
- ! multiply by rotation factor (except for factors of 2 and 4)
-700 IF (i==m) GOTO 800
- kk = jc + 1
-710 c2 = 1.0d0 - cd
- s1 = sd
-720 c1 = c2
- s2 = s1
- kk = kk + kspan
-730 ak = a (kk)
- a (kk) = c2 * ak - s2 * b (kk)
- b (kk) = s2 * ak + c2 * b (kk)
- kk = kk + kspnn
- IF (kk<=nt) GOTO 730
- ak = s1 * s2
- s2 = s1 * c2 + c1 * s2
- c2 = c1 * c2 - ak
- kk = kk - nt + kspan
- IF (kk<=kspnn) GOTO 730
- c2 = c1 - (cd * c1 + sd * s1)
- s1 = s1 + (sd * c1 - cd * s1)
- ! the following three statements compensate for truncation
- ! error. if rounded arithmetic is used, they may
- ! be deleted.
- c1 = 0.5d0 / (c2**2 + s1**2) + 0.5d0
- s1 = c1 * s1
- c2 = c1 * c2
- kk = kk - kspnn + jc
- IF (kk<=kspan) GOTO 720
- kk = kk - kspan + jc + inc
- IF (kk<=jc + jc) GOTO 710
- GOTO 100
- ! permute the results to normal order---done in two stages
- ! permutation for square factors of n
-800 np (1) = ks
- IF (kt==0) GOTO 890
- k = kt + kt + 1
- IF (m<k) k = k - 1
- j = 1
- np (k + 1) = jc
-810 np (j + 1) = np (j) / nfac (j)
- np (k) = np (k + 1) * nfac (j)
- j = j + 1
- k = k - 1
- IF (j<k) GOTO 810
- k3 = np (k + 1)
- kspan = np (2)
- kk = jc + 1
- k2 = kspan + 1
- j = 1
- IF (n/=ntot) GOTO 850
- ! permutation for single-variate transform (optional code)
-820 ak = a (kk)
- a (kk) = a (k2)
- a (k2) = ak
- bk = b (kk)
- b (kk) = b (k2)
- b (k2) = bk
- kk = kk + inc
- k2 = kspan + k2
- IF (k2<ks) GOTO 820
-830 k2 = k2 - np (j)
- j = j + 1
- k2 = np (j + 1) + k2
- IF (k2>np (j) ) GOTO 830
- j = 1
-840 IF (kk<k2) GOTO 820
- kk = kk + inc
- k2 = kspan + k2
- IF (k2<ks) GOTO 840
- IF (kk<ks) GOTO 830
- jc = k3
- GOTO 890
- ! permutation for multivariate transform
-850 k = kk + jc
-860 ak = a (kk)
- a (kk) = a (k2)
- a (k2) = ak
- bk = b (kk)
- b (kk) = b (k2)
- b (k2) = bk
- kk = kk + inc
- k2 = k2 + inc
- IF (kk<k) GOTO 860
- kk = kk + ks - jc
- k2 = k2 + ks - jc
- IF (kk<nt) GOTO 850
- k2 = k2 - nt + kspan
- kk = kk - nt + jc
- IF (k2<ks) GOTO 850
-870 k2 = k2 - np (j)
- j = j + 1
- k2 = np (j + 1) + k2
- IF (k2>np (j) ) GOTO 870
- j = 1
-880 IF (kk<k2) GOTO 850
- kk = kk + jc
- k2 = kspan + k2
- IF (k2<ks) GOTO 880
- IF (kk<ks) GOTO 870
- jc = k3
-890 IF (2 * kt + 1>=m) RETURN
- kspnn = np (kt + 1)
- ! permutation for square-free factors of n
- j = m - kt
- nfac (j + 1) = 1
-900 nfac (j) = nfac (j) * nfac (j + 1)
- j = j - 1
- IF (j/=kt) GOTO 900
- kt = kt + 1
- nn = nfac (kt) - 1
- IF (nn>maxp) GOTO 998
- jj = 0
- j = 0
- GOTO 906
-902 jj = jj - k2
- k2 = kk
- k = k + 1
- kk = nfac (k)
-904 jj = kk + jj
- IF (jj>=k2) GOTO 902
- np (j) = jj
-906 k2 = nfac (kt)
- k = kt + 1
- kk = nfac (k)
- j = j + 1
- IF (j<=nn) GOTO 904
- ! determine the permutation cycles of length greater than 1
- j = 0
- GOTO 914
-910 k = kk
- kk = np (k)
- np (k) = - kk
- IF (kk/=j) GOTO 910
- k3 = kk
-914 j = j + 1
- kk = np (j)
- IF (kk<0) GOTO 914
- IF (kk/=j) GOTO 910
- np (j) = - j
- IF (j/=nn) GOTO 914
- maxf = inc * maxf
- ! reorder a and b, following the permutation cycles
- GOTO 950
-924 j = j - 1
- IF (np (j) <0) GOTO 924
- jj = jc
-926 kspan = jj
- IF (jj>maxf) kspan = maxf
- jj = jj - kspan
- k = np (j)
- kk = jc * k + ii + jj
- k1 = kk + kspan
- k2 = 0
-928 k2 = k2 + 1
- at (k2) = a (k1)
- bt (k2) = b (k1)
- k1 = k1 - inc
- IF (k1/=kk) GOTO 928
-932 k1 = kk + kspan
- k2 = k1 - jc * (k + np (k) )
- k = - np (k)
-936 a (k1) = a (k2)
- b (k1) = b (k2)
- k1 = k1 - inc
- k2 = k2 - inc
- IF (k1/=kk) GOTO 936
- kk = k2
- IF (k/=j) GOTO 932
- k1 = kk + kspan
- k2 = 0
-940 k2 = k2 + 1
- a (k1) = at (k2)
- b (k1) = bt (k2)
- k1 = k1 - inc
- IF (k1/=kk) GOTO 940
- IF (jj/=0) GOTO 926
- IF (j/=1) GOTO 924
-950 j = k3 + 1
- nt = nt - kspnn
- ii = nt - inc + 1
- IF (nt>=0) GOTO 924
- RETURN
- ! error finish, insufficient array storage
-998 isn = 0
-! print 999
- PRINT*,'Array bounds exceeded within subroutine cft'
- STOP
-!999 format(44h0array bounds exceeded within subroutine cft)
- END SUBROUTINE cft
diff --git a/PP/src/make.depend b/PP/src/make.depend
index fe3ab352f8774a1ccd5fe2c35b484e21b6edb0fa..93a0586e844a0d81c9c22e9766a4e370f09d437b 100644
--- a/PP/src/make.depend
+++ b/PP/src/make.depend
@@ -32,6 +32,7 @@ add_shift_us.o : ../../Modules/wavefunctions.o
add_shift_us.o : ../../PW/src/pwcom.o
add_shift_us.o : ../../PW/src/symme.o
add_shift_us.o : ../../UtilXlib/mp.o
+addusdens1d.o : ../../FFTXlib/fft_scalar.o
addusdens1d.o : ../../Modules/cell_base.o
addusdens1d.o : ../../Modules/fft_base.o
addusdens1d.o : ../../Modules/ions_base.o
@@ -50,7 +51,7 @@ atomic_wfc_nc_proj.o : ../../Modules/recvec.o
atomic_wfc_nc_proj.o : ../../Modules/uspp.o
atomic_wfc_nc_proj.o : ../../PW/src/atomic_wfc_mod.o
atomic_wfc_nc_proj.o : ../../PW/src/pwcom.o
-average.o : ../../FFTXlib/fft_types.o
+average.o : ../../FFTXlib/fft_scalar.o
average.o : ../../Modules/cell_base.o
average.o : ../../Modules/constants.o
average.o : ../../Modules/control_flags.o
@@ -61,8 +62,8 @@ average.o : ../../Modules/io_files.o
average.o : ../../Modules/io_global.o
average.o : ../../Modules/ions_base.o
average.o : ../../Modules/kind.o
-average.o : ../../Modules/mp_bands.o
average.o : ../../Modules/mp_global.o
+average.o : ../../Modules/mp_world.o
average.o : ../../Modules/parameters.o
average.o : ../../Modules/recvec.o
average.o : ../../Modules/run_info.o
@@ -87,7 +88,6 @@ bands.o : ../../Modules/uspp.o
bands.o : ../../Modules/wavefunctions.o
bands.o : ../../PW/src/pwcom.o
bands.o : ../../UtilXlib/mp.o
-cft.o : ../../Modules/kind.o
chdens_bspline.o : ../../Modules/bspline.o
chdens_bspline.o : ../../Modules/cell_base.o
chdens_bspline.o : ../../Modules/fft_base.o
@@ -783,7 +783,6 @@ vasp_xml_module.o : ../../Modules/noncol.o
vasp_xml_module.o : ../../Modules/paw_variables.o
vasp_xml_module.o : ../../Modules/qes_libs_module.o
vasp_xml_module.o : ../../Modules/qes_types_module.o
-vasp_xml_module.o : ../../Modules/read_pseudo.o
vasp_xml_module.o : ../../Modules/recvec.o
vasp_xml_module.o : ../../Modules/recvec_subs.o
vasp_xml_module.o : ../../Modules/uspp.o
diff --git a/PP/src/vasp_xml_module.f90 b/PP/src/vasp_xml_module.f90
index d3a7b44dfb411ac14981ffd79beb9455fb2c1498..e71929aeef8a65b710bb68d8222e47f5c9b070bd 100644
--- a/PP/src/vasp_xml_module.f90
+++ b/PP/src/vasp_xml_module.f90
@@ -125,7 +125,6 @@ SUBROUTINE readxmlfile_vasp(iexch,icorr,igcx,igcc,inlc,ierr)
USE qes_libs_module, ONLY : qes_reset
USE io_rho_xml, ONLY : read_scf
USE fft_rho, ONLY : rho_g2r
- USE read_pseudo_mod, ONLY : readpp
USE uspp, ONLY : becsum
USE uspp_param, ONLY : upf
USE paw_variables, ONLY : okpaw, ddd_PAW
diff --git a/PW/Doc/INPUT_PW.def b/PW/Doc/INPUT_PW.def
index c65b783137ece1974a6ed3aa5c0bb10836cacb4c..a94ba282986dba4c0f0ba0f8aa30690b44a26064 100644
--- a/PW/Doc/INPUT_PW.def
+++ b/PW/Doc/INPUT_PW.def
@@ -62,6 +62,7 @@ input_description -distribution {Quantum Espresso} -package PWscf -program pw.x
if (not automatic)
nks
xk_x, xk_y, xk_z, wk
+ if (tpipa_b or crystal_b in a 'bands' calculation) see Doc/brillouin_zones.pdf
[ @b CELL_PARAMETERS { alat | bohr | angstrom }
v1(1) v1(2) v1(3)
@@ -479,7 +480,16 @@ input_description -distribution {Quantum Espresso} -package PWscf -program pw.x
see below for the other parameters.
For ibrav=0 specify the lattice vectors in @ref CELL_PARAMETERS,
optionally the lattice parameter alat = celldm(1) (in a.u.)
- or = A (in Angstrom), or else it is taken from @ref CELL_PARAMETERS
+ or = A (in Angstrom). If not specified, the lattice parameter is
+ taken from @ref CELL_PARAMETERS
+ IMPORTANT NOTICE 1:
+ with ibrav=0 lattice vectors must be given with a sufficiently large
+ number of digits and with the correct symmetry, or else symmetry
+ detection may fail and strange problems may arise in symmetrization.
+ IMPORTANT NOTICE 2:
+ do not use celldm(1) or A as a.u. to Ang conversion factor,
+ use the true lattice parameters or nothing,
+ specify units in @ref CELL_PARAMETERS and @ref ATOMIC_POSITIONS
ibrav structure celldm(2)-celldm(6)
or: b,c,cosbc,cosac,cosab
@@ -2566,7 +2576,7 @@ input_description -distribution {Quantum Espresso} -package PWscf -program pw.x
Select which of the cell parameters should be moved:
}
opt -val 'all' { all axis and angles are moved }
- opt -val 'ibrav' { all axis and angles are moved, but the lattice but be representable with the initial ibrav choice }
+ opt -val 'ibrav' { all axis and angles are moved, but the lattice remains consistent with the initial ibrav choice }
opt -val 'x' { only the x component of axis 1 (v1_x) is moved }
opt -val 'y' { only the y component of axis 2 (v2_y) is moved }
opt -val 'z' { only the z component of axis 3 (v3_z) is moved }
@@ -2819,7 +2829,8 @@ input_description -distribution {Quantum Espresso} -package PWscf -program pw.x
opt -val tpiba_b {
Used for band-structure plots.
- k-points are in units of 2 pi/a.
+ See Doc/brillouin_zones.pdf for usage of BZ labels;
+ otherwise, k-points are in units of 2 pi/a.
nks points specify nks-1 lines in reciprocal space.
Every couple of points identifies the initial and
final point of a line. pw.x generates N intermediate
@@ -2828,6 +2839,7 @@ input_description -distribution {Quantum Espresso} -package PWscf -program pw.x
opt -val crystal_b {
As tpiba_b, but k-points are in crystal coordinates.
+ See Doc/brillouin_zones.pdf for usage of BZ labels.
}
opt -val tpiba_c {
diff --git a/PW/pw.md b/PW/pw.md
index a824d5f744cb331037e3c0cd6609ee08b80a83bc..c77609cb73365ca93949890fb72bdda57f77d3d9 100644
--- a/PW/pw.md
+++ b/PW/pw.md
@@ -3,11 +3,11 @@ src_dir: ./src/
output_dir: ./doc
project_website: http://www.quantum-espresso.org/
summary: Quantum Espresso is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.
-authors: Paolo Gianozzi et al.
+authors: Paolo Giannozzi et al.
author_description: The Quantum Espresso project is developed by the QE community.
github: https://github.com/QEF/q-e
-email: pw_forum@pwscf.org
-project_sourceforge: http://qeforge.qe-forge.org/gf/project/q-e/
+gitlab: https://gitlab.com/QEF/q-e
+email: users@lists.quantum-espresso.org
predocmark: >
media_dir: ./media
page_dir: ./Ford
@@ -27,12 +27,11 @@ extra_filetypes: sh #
[Quantum ESPRESSO](http://www.quantum-espresso.org/) is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale.
It is based on density-functional theory, plane waves, and pseudopotentials.
-Quantum ESPRESSO has evolved into a distribution of independent and inter-operable codes in the spirit of an open-source project. The Quantum ESPRESSO distribution consists of a “historical” core set of components, and a set of plug-ins that perform more advanced tasks, plus a number of third-party packages designed to be inter-operable with the core components. Researchers active in the field of electronic-structure calculations are encouraged to participate in the project by contributing their own codes or by implementing their own ideas into existing codes.
+Quantum ESPRESSO has evolved into a distribution of inter-operable codes in the spirit of an open-source project. The Quantum ESPRESSO distribution consists of a core set of components, a set of additional packages performing more advanced tasks, and a number of third-party packages designed to be inter-operable with the core components. Researchers active in the field of electronic-structure calculations are encouraged to participate in the project by contributing their own codes or by implementing their own ideas into existing codes.
-Quantum ESPRESSO is an open initiative, in collaboration with many groups world-wide, coordinated by the Quantum ESPRESSO Foundation. Present members of the latter include Scuola Internazionale Superiore di Studi Avanzati, the Abdus Salam International Centre for Theoretical Physics (Trieste), the CINECA National Supercomputing Center (Bologna), the Ecole Polytechnique Fédérale de Lausanne, the University of North Texas (Dallas), the Duke University (Durham). Courses on modern electronic-structure theory with hands-on tutorials on the Quantum ESPRESSO codes are offered on a regular basis in collaboration with the Abdus Salam International Centre for Theoretical Physics in Trieste.
+Quantum ESPRESSO is an open initiative, in collaboration with many groups world-wide, coordinated by the Quantum ESPRESSO Foundation. Present members of the latter include Scuola Internazionale Superiore di Studi Avanzati, the Abdus Salam International Centre for Theoretical Physics (Trieste), the CINECA National Supercomputing Center (Bologna), the Ecole Polytechnique Fédérale de Lausanne, the University of North Texas (Dallas), the Oxford University. Courses on modern electronic-structure theory with hands-on tutorials on the Quantum ESPRESSO codes are offered on a regular basis in collaboration with the Abdus Salam International Centre for Theoretical Physics in Trieste.
-
-The reference technical manuscript for the latest pubic release is:
-[P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. Fabris, G. Fratesi, S. de Gironcoli, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A. P. Seitsonen, A. Smogunov, P. Umari, R. M. Wentzcovitch, J.Phys.:Condens.Matter, 22, 395502 (2009)](dx.doi.org/10.1088/0953-8984/21/39/395502)
+The reference technical manuscript for the latest public release is:
+[P. Giannozzi et al., J.Phys.:Condens.Matter 29, 465901 (2017)](http://iopscience.iop.org/article/10.1088/1361-648X/aa8f79)
diff --git a/PW/src/add_qexsd_step.f90 b/PW/src/add_qexsd_step.f90
index 616a80c30729439c37c502e5fd57d2e9e144babd..a3971a0cdea42cb6555e7fd6056e852efa44b369 100644
--- a/PW/src/add_qexsd_step.f90
+++ b/PW/src/add_qexsd_step.f90
@@ -27,7 +27,7 @@ USE force_mod, ONLY: force, sigma
USE control_flags,ONLY: nstep, n_scf_steps, scf_error, conv_elec
USE fcp_variables,ONLY: fcp_mu, lfcpopt, lfcpdyn
USE extfield, ONLY: gate, etotgatefield, tefield, etotefield
-USE input_parameters, ONLY: max_xml_steps
+USE control_flags, ONLY: max_xml_steps
!-----------------------------------------------------------------------------
! END_GLOBAL_VARIABLES
!-----------------------------------------------------------------------------
@@ -58,13 +58,12 @@ INTEGER :: stride = 1, max_xml_steps_
IF ( max_xml_steps > 0 ) THEN
stride = nstep/max_xml_steps
+ IF (nstep/stride > max_xml_steps) stride = stride+1
max_xml_steps_ = max_xml_steps+2
ELSE
max_xml_steps_ = nstep
END IF
-
-IF (.NOT. ( i_step == 1 .OR. MOD(i_step-1, stride) == 0 .OR. i_step == nstep)) RETURN
-
+IF (.NOT. ( i_step == 1 .OR. MOD(i_step-1, stride) == 0 .OR. i_step == nstep)) RETURN
NULLIFY(potstat_contr_ptr, fcp_force_ptr, fcp_tot_charge_ptr, demet_ptr, degauss_ptr, &
gatefield_en_ptr, efield_corr_ptr)
!
diff --git a/PW/src/input.f90 b/PW/src/input.f90
index dc7c15aefeceda74225d923ebd3cd942113ba5bb..8d9822db37ef54b7edcc5672a28572d461d0ab5f 100644
--- a/PW/src/input.f90
+++ b/PW/src/input.f90
@@ -166,7 +166,8 @@ SUBROUTINE iosys()
ts_vdw_ => ts_vdw, &
lecrpa_ => lecrpa, &
scf_must_converge_=> scf_must_converge, &
- treinit_gvecs_ => treinit_gvecs
+ treinit_gvecs_ => treinit_gvecs, &
+ max_xml_steps_ => max_xml_steps
USE check_stop, ONLY : max_seconds_ => max_seconds
!
USE wvfct, ONLY : nbnd_ => nbnd
@@ -220,7 +221,7 @@ SUBROUTINE iosys()
gdir, nppstr, wf_collect,lelfield,lorbm,efield, &
nberrycyc, efield_cart, lecrpa, &
vdw_table_name, memory, max_seconds, tqmmm, &
- efield_phase, gate
+ efield_phase, gate, max_xml_steps
!
! ... SYSTEM namelist
@@ -1164,6 +1165,7 @@ SUBROUTINE iosys()
pseudo_dir_ = trimcheck( pseudo_dir )
nstep_ = nstep
iprint_ = iprint
+ max_xml_steps_ = max_xml_steps
lecrpa_ = lecrpa
scf_must_converge_ = scf_must_converge
!
diff --git a/PW/src/make.depend b/PW/src/make.depend
index e9f9edd78c22884fbf226b700987ea1ec26e9e2f..086284354e3da91ac7bcb9fa492f4ece69b6d5d2 100644
--- a/PW/src/make.depend
+++ b/PW/src/make.depend
@@ -1558,11 +1558,13 @@ pw_restart_new.o : Coul_cut_2D.o
pw_restart_new.o : atomic_wfc_mod.o
pw_restart_new.o : bp_mod.o
pw_restart_new.o : buffers.o
+pw_restart_new.o : esm.o
pw_restart_new.o : extfield.o
pw_restart_new.o : exx.o
pw_restart_new.o : exx_base.o
pw_restart_new.o : io_rho_xml.o
pw_restart_new.o : ldaU.o
+pw_restart_new.o : martyna_tuckerman.o
pw_restart_new.o : pwcom.o
pw_restart_new.o : realus.o
pw_restart_new.o : scf_mod.o
diff --git a/PW/src/makov_payne.f90 b/PW/src/makov_payne.f90
index b7fa7920ba3849064ad245c7f919c24c4d9bf7fc..a1ea9bc94cb14bd6d8d14c5ee563ec8d3077c9fc 100644
--- a/PW/src/makov_payne.f90
+++ b/PW/src/makov_payne.f90
@@ -90,7 +90,7 @@ SUBROUTINE write_dipole( etot, x0, dipole_el, quadrupole_el, qq )
! ... differs from the "traditional" one found in the literature. See
! ... Lento, Mozos, Nieminen, J. Phys.: Condens. Matter 14 (2002), 2637-2645
!
- REAL(DP), PARAMETER :: madelung(3) = (/ 2.8373D0, 2.8883D0, 2.885D0 /)
+ REAL(DP), PARAMETER :: madelung(3) = (/ 2.8373D0, 2.8883D0, 2.8885D0 /)
!
!
IF ( .NOT. ionode ) RETURN
diff --git a/PW/src/mix_rho.f90 b/PW/src/mix_rho.f90
index 47e80e1e87278d9eded7c31e9d8e7126de0f8ccb..5c96d6ca52602e4bab9d70940666aeaf435e689a 100644
--- a/PW/src/mix_rho.f90
+++ b/PW/src/mix_rho.f90
@@ -35,6 +35,8 @@ SUBROUTINE mix_rho( input_rhout, rhoin, alphamix, dr2, tr2_min, iter, n_iter,&
!
! ... Modified Broyden's method for charge density mixing
! ... D.D. Johnson PRB 38, 12807 (1988)
+ ! ... Thomas-Fermi preconditioning described in
+ ! ... Raczkowski, Canning, Wang, PRB 64,121101 (2001)
! ... Extended to mix also quantities needed for PAW, meta-GGA, DFT+U,
! ... electric field (all these are included into mix_type)
! ... On output: the mixed density is in rhoin
diff --git a/PW/src/pw_restart_new.f90 b/PW/src/pw_restart_new.f90
index 7c6ad224a2b60c04d2c5e54c7b2172cb6f9fe961..9d2e366d39c345200dd64522898b55bd4567a302 100644
--- a/PW/src/pw_restart_new.f90
+++ b/PW/src/pw_restart_new.f90
@@ -29,7 +29,7 @@ MODULE pw_restart_new
qexsd_init_dipole_info, qexsd_init_total_energy, &
qexsd_init_forces,qexsd_init_stress, qexsd_xf, &
qexsd_init_outputElectricField, &
- qexsd_input_obj, qexsd_occ_obj, qexsd_smear_obj, &
+ qexsd_input_obj, qexsd_occ_obj, &
qexsd_init_outputPBC, qexsd_init_gate_info, qexsd_init_hybrid,&
qexsd_init_dftU, qexsd_init_vdw
USE io_global, ONLY : ionode, ionode_id
@@ -74,7 +74,7 @@ MODULE pw_restart_new
USE wavefunctions, ONLY : evc
USE klist, ONLY : nks, nkstot, xk, ngk, wk, &
lgauss, ngauss, smearing, degauss, nelec, &
- two_fermi_energies, nelup, neldw, tot_charge
+ two_fermi_energies, nelup, neldw, tot_charge, ltetra
USE start_k, ONLY : nk1, nk2, nk3, k1, k2, k3, &
nks_start, xk_start, wk_start
USE gvect, ONLY : ngm, ngm_g, g, mill
@@ -132,8 +132,11 @@ MODULE pw_restart_new
qexsd_init_occupations, qexsd_init_smearing
USE fcp_variables, ONLY : lfcpopt, lfcpdyn, fcp_mu
USE io_files, ONLY : pseudo_dir
- USE control_flags, ONLY : conv_elec, conv_ions, ldftd3
+ USE control_flags, ONLY : conv_elec, conv_ions, ldftd3, do_makov_payne
USE input_parameters, ONLY : ts_vdw_econv_thr, ts_vdw_isolated
+ USE Coul_cut_2D, ONLY : do_cutoff_2D
+ USE esm, ONLY : do_comp_esm
+ USE martyna_tuckerman, ONLY : do_comp_mt
!
IMPLICIT NONE
!
@@ -150,7 +153,7 @@ MODULE pw_restart_new
CHARACTER(LEN=15) :: symop_2_class(48)
LOGICAL :: opt_conv_ispresent, dft_is_vdw, empirical_vdw
INTEGER :: n_opt_steps, n_scf_steps_, h_band
- REAL(DP) :: h_energy
+ REAL(DP),TARGET :: h_energy
TYPE(gateInfo_type),TARGET :: gate_info_temp
TYPE(gateInfo_type),POINTER :: gate_info_ptr => NULL()
TYPE(dipoleOutput_type),TARGET :: dipol_obj
@@ -176,17 +179,19 @@ MODULE pw_restart_new
CHARACTER(LEN=3),ALLOCATABLE :: species_(:)
CHARACTER(LEN=20),TARGET :: dft_nonlocc_
INTEGER,TARGET :: dftd3_version_
- CHARACTER(LEN=20),TARGET :: vdw_corr_
+ CHARACTER(LEN=20),TARGET :: vdw_corr_, pbc_label
CHARACTER(LEN=20),POINTER :: non_local_term_pt =>NULL(), vdw_corr_pt=>NULL()
REAL(DP),TARGET :: temp(20), lond_rcut_, lond_s6_, ts_vdw_econv_thr_, xdm_a1_, xdm_a2_, ectuvcut_,&
scr_par_, loc_thr_
REAL(DP),POINTER :: vdw_term_pt =>NULL(), ts_thr_pt=>NULL(), london_s6_pt=>NULL(),&
london_rcut_pt=>NULL(), xdm_a1_pt=>NULL(), xdm_a2_pt=>NULL(), &
ts_vdw_econv_thr_pt=>NULL(), ectuvcut_opt=>NULL(), scr_par_opt=>NULL(), &
- loc_thr_p => NULL()
+ loc_thr_p => NULL(), h_energy_ptr => NULL()
LOGICAL,TARGET :: dftd3_threebody_, ts_vdw_isolated_
LOGICAL,POINTER :: ts_isol_pt=>NULL(), dftd3_threebody_pt=>NULL(), ts_vdw_isolated_pt =>NULL()
INTEGER,POINTER :: dftd3_version_pt => NULL()
+ TYPE(smearing_type),TARGET :: smear_obj
+ TYPE(smearing_type),POINTER:: smear_obj_ptr => NULL()
NULLIFY( degauss_, demet_, efield_corr, potstat_corr, gatefield_corr )
@@ -455,10 +460,21 @@ MODULE pw_restart_new
! ... PERIODIC BOUNDARY CONDITIONS
!-------------------------------------------------------------------------------
!
- IF (TRIM( assume_isolated ) .EQ. "2D" ) THEN
+ IF (ANY([do_makov_payne, do_comp_mt, do_comp_esm, do_cutoff_2D])) THEN
output%boundary_conditions_ispresent=.TRUE.
- CALL qexsd_init_outputPBC(output%boundary_conditions, assume_isolated)
- ENDIF
+ IF (do_makov_payne) THEN
+ pbc_label = 'makov_payne'
+ ELSE IF ( do_comp_mt) THEN
+ pbc_label = 'martyna_tuckerman'
+ ELSE IF ( do_comp_esm) THEN
+ pbc_label = 'esm'
+ ELSE IF ( do_cutoff_2D) THEN
+ pbc_label = '2D'
+ ELSE
+ CALL errore ('pw_restart_new.f90: ', 'internal error line 470', 1)
+ END IF
+ CALL qexsd_init_outputPBC(output%boundary_conditions, TRIM(pbc_label) )
+ ENDIF
!
!-------------------------------------------------------------------------------
! ... MAGNETIZATION
@@ -476,10 +492,11 @@ MODULE pw_restart_new
!
IF ( TRIM(what) == "init-config" ) GO TO 10
!
- IF (TRIM(input_parameters_occupations) == 'fixed') THEN
+ IF ( .NOT. ( lgauss .OR. ltetra )) THEN
occupations_are_fixed = .TRUE.
CALL get_homo_lumo( h_energy, lumo_tmp)
h_energy = h_energy/e2
+ h_energy_ptr => h_energy
IF ( lumo_tmp .LT. 1.d+6 ) THEN
lumo_tmp = lumo_tmp/e2
lumo_energy => lumo_tmp
@@ -509,31 +526,29 @@ MODULE pw_restart_new
ELSE
ef_updw = [ef_up/e2, ef_dw/e2]
END IF
- ELSE
+ ELSE IF (ltetra .OR. lgauss) THEN
ef_targ = ef/e2
ef_point => ef_targ
END IF
- IF (TRIM(input_parameters_occupations) == 'smearing' ) THEN
+ IF ( lgauss ) THEN
IF (TRIM(qexsd_input_obj%tagname) == 'input') THEN
- qexsd_smear_obj = qexsd_input_obj%bands%smearing
+ smear_obj = qexsd_input_obj%bands%smearing
ELSE
- CALL qexsd_init_smearing(qexsd_smear_obj, smearing, degauss)
+ CALL qexsd_init_smearing(smear_obj, smearing, degauss)
END IF
- !
- CALL qexsd_init_band_structure( output%band_structure,lsda,noncolin,lspinorb, nelec, natomwfc, &
- et, wg, nkstot, xk, ngk_g, wk, SMEARING = qexsd_smear_obj, &
- STARTING_KPOINTS = qexsd_start_k_obj, OCCUPATIONS_KIND = qexsd_occ_obj, &
- WF_COLLECTED = wf_collect, NBND = nbnd, FERMI_ENERGY = ef_point, EF_UPDW = ef_updw )
- CALL qes_reset (qexsd_smear_obj)
- ELSE
- CALL qexsd_init_band_structure(output%band_structure,lsda, noncolin,lspinorb, nelec, natomwfc, &
- et, wg, nkstot, xk, ngk_g, wk, &
- STARTING_KPOINTS = qexsd_start_k_obj, OCCUPATIONS_KIND = qexsd_occ_obj,&
- WF_COLLECTED = wf_collect , NBND = nbnd, HOMO = h_energy, LUMO = lumo_energy , &
- EF_UPDW = ef_updw )
+ smear_obj_ptr => smear_obj
END IF
+ !
+
+ CALL qexsd_init_band_structure( output%band_structure,lsda,noncolin,lspinorb, nelec, natomwfc, &
+ et, wg, nkstot, xk, ngk_g, wk, SMEARING = smear_obj_ptr, &
+ STARTING_KPOINTS = qexsd_start_k_obj, OCCUPATIONS_KIND = qexsd_occ_obj, &
+ WF_COLLECTED = wf_collect, NBND = nbnd, FERMI_ENERGY = ef_point, EF_UPDW = ef_updw,&
+ HOMO = h_energy_ptr, LUMO = lumo_energy )
+ !
+ IF (lgauss) CALL qes_reset (smear_obj)
CALL qes_reset (qexsd_start_k_obj)
CALL qes_reset (qexsd_occ_obj)
!
diff --git a/PW/src/setup.f90 b/PW/src/setup.f90
index e2d15a5718a6e3fd62b59927dbaa82edabe5a632..27658891765fbe335a40fb870eebb443bcbf3fe1 100644
--- a/PW/src/setup.f90
+++ b/PW/src/setup.f90
@@ -37,7 +37,7 @@ SUBROUTINE setup()
USE parameters, ONLY : npk
USE io_global, ONLY : stdout
USE io_files, ONLY : tmp_dir, prefix
- USE cell_base, ONLY : at, bg, alat, tpiba, tpiba2, ibrav, omega
+ USE cell_base, ONLY : at, bg, alat, tpiba, tpiba2, ibrav
USE ions_base, ONLY : nat, tau, ntyp => nsp, ityp, zv
USE basis, ONLY : starting_pot, natomwfc
USE gvect, ONLY : gcutm, ecutrho
@@ -125,6 +125,8 @@ SUBROUTINE setup()
END IF
IF ( dft_is_hybrid() ) THEN
+ IF ( lberry ) CALL errore( 'setup ', &
+ 'hybrid XC not allowed in Berry-phase calculations',1 )
IF ( allfrac ) CALL errore( 'setup ', &
'option use_all_frac incompatible with hybrid XC', 1 )
IF (.NOT. lscf) CALL errore( 'setup ', &
@@ -519,6 +521,9 @@ SUBROUTINE setup()
!
IF ( nosym ) nsym = 1
!
+ IF ( nsym > 1 .AND. ibrav == 0 ) CALL infomsg('setup', &
+ 'DEPRECATED: symmetry with ibrav=0, use correct ibrav instead')
+ !
! ... Input k-points are assumed to be given in the IBZ of the Bravais
! ... lattice, with the full point symmetry of the lattice.
! ... If some symmetries of the lattice are missing in the crystal,
diff --git a/PW/src/symm_base.f90 b/PW/src/symm_base.f90
index 86b3fad78bc61a4e87cc6af28272a18e4c61f774..9d6cabf5cbe00c49f0cc0b5b21ba2315ade7aa14 100644
--- a/PW/src/symm_base.f90
+++ b/PW/src/symm_base.f90
@@ -26,9 +26,13 @@ MODULE symm_base
!
! ... Exported variables
!
- PUBLIC :: s, sr, sname, ft, ftau, nrot, nsym, nsym_ns, nsym_na, t_rev, &
+ PUBLIC :: s, sr, sname, ft, nrot, nsym, nsym_ns, nsym_na, t_rev, &
no_t_rev, time_reversal, irt, invs, invsym, d1, d2, d3, &
allfrac, nofrac, nosym, nosym_evc, fft_fact, spacegroup
+ PUBLIC :: ftau
+ ! ... IMPORTANT NOTE: fractional translations are computed and stored in ft;
+ ! ... ftau is for compatibility only and is not computed here, but only in
+ ! ... remove_symm (used by EPW) or when symmetries are read from xml file
INTEGER :: &
s(3,3,48), &! symmetry matrices, in crystal axis
invs(48), &! index of inverse operation: S^{-1}_i=S(invs(i))
@@ -647,8 +651,10 @@ SUBROUTINE sgam_at_mag ( nat, m_loc, sym )
t_rev(irot) = 1
ENDIF
ENDIF
- IF ((.NOT. sym(irot)) .AND. (ftau(1,irot) /= 0 .OR. ftau(2,irot) /=0 &
- .OR. ftau(3,irot) /=0)) nsym_ns=nsym_ns-1
+ IF ( (.NOT. sym(irot) ) .AND. &
+ ( abs (ft(1,irot)) > eps2 .OR. &
+ abs (ft(2,irot)) > eps2 .OR. &
+ abs (ft(3,irot)) > eps2 ) ) nsym_ns = nsym_ns - 1
!
ENDIF
!
@@ -667,7 +673,7 @@ SUBROUTINE set_sym(nat, tau, ityp, nspin_mag, m_loc)
! is noncollinear magnetism and the initial magnetic moments;
! it sets the symmetry elements of this module.
! Note that at and bg are those in cell_base. It sets nrot, nsym, s,
- ! sname, sr, invs, ftau, irt, t_rev, time_reversal, and invsym
+ ! sname, sr, invs, ft, irt, t_rev, time_reversal, and invsym
!
!-----------------------------------------------------------------------
!
@@ -1105,8 +1111,8 @@ END SUBROUTINE sgam_at_ifc
!-----------------------------------------------------------------------
SUBROUTINE remove_sym ( nr1, nr2, nr3 )
!
- ! ... ensure that ftau used for symmetrization in real space (phonon, exx)
- ! ... are commensurated with the FFT grid
+ ! ... compute ftau used for symmetrization in real space (phonon, exx)
+ ! ... ensure that they are commensurated with the FFT grid
!
IMPLICIT NONE
!
diff --git a/UtilXlib/mp.f90 b/UtilXlib/mp.f90
index f272a55b3ea3a4ec5169603a7b31acf30d1cb315..b6502626dce15215f909cea5127e9a42affc3c63 100644
--- a/UtilXlib/mp.f90
+++ b/UtilXlib/mp.f90
@@ -52,7 +52,7 @@
END INTERFACE
INTERFACE mp_sum
- MODULE PROCEDURE mp_sum_i1, mp_sum_iv, mp_sum_im, mp_sum_it, &
+ MODULE PROCEDURE mp_sum_i1, mp_sum_iv, mp_sum_im, mp_sum_it, mp_sum_i4, mp_sum_i5, &
mp_sum_r1, mp_sum_rv, mp_sum_rm, mp_sum_rt, mp_sum_r4d, &
mp_sum_c1, mp_sum_cv, mp_sum_cm, mp_sum_ct, mp_sum_c4d, &
mp_sum_c5d, mp_sum_c6d, mp_sum_rmm, mp_sum_cmm, mp_sum_r5d, &
@@ -1391,6 +1391,33 @@
#endif
END SUBROUTINE mp_sum_it
+!------------------------------------------------------------------------------!
+
+ SUBROUTINE mp_sum_i4(msg,gid)
+ IMPLICIT NONE
+ INTEGER, INTENT (INOUT) :: msg(:,:,:,:)
+ INTEGER, INTENT (IN) :: gid
+#if defined(__MPI)
+ INTEGER :: msglen
+ msglen = size(msg)
+ CALL reduce_base_integer( msglen, msg, gid, -1 )
+#endif
+ END SUBROUTINE mp_sum_i4
+
+!------------------------------------------------------------------------------!
+
+ SUBROUTINE mp_sum_i5(msg,gid)
+ IMPLICIT NONE
+ INTEGER, INTENT (INOUT) :: msg(:,:,:,:,:)
+ INTEGER, INTENT (IN) :: gid
+#if defined(__MPI)
+ INTEGER :: msglen
+ msglen = size(msg)
+ CALL reduce_base_integer( msglen, msg, gid, -1 )
+#endif
+ END SUBROUTINE mp_sum_i5
+
+
!------------------------------------------------------------------------------!
SUBROUTINE mp_sum_r1(msg,gid)
diff --git a/clib/qmmm_aux.c b/clib/qmmm_aux.c
index f09cc6fbb0351fa1c55c9aac626a82d789c1b015..fac14b30d4af0cd4c02db71ef05a0f9a089de60f 100644
--- a/clib/qmmm_aux.c
+++ b/clib/qmmm_aux.c
@@ -14,6 +14,7 @@
#include<stdio.h>
#include<stdlib.h>
+#include<math.h>
/* ---------------------------------------------------------------------- */
/* Manage the atomic number */
diff --git a/install/aclocal.m4 b/install/aclocal.m4
index 473be477f5a1cfebba79c6672aa0ab4be541dc2b..35e625f1d28b774a85162a7e480279c41515c6c4 100644
--- a/install/aclocal.m4
+++ b/install/aclocal.m4
@@ -1,6 +1,6 @@
-# generated automatically by aclocal 1.15 -*- Autoconf -*-
+# generated automatically by aclocal 1.15.1 -*- Autoconf -*-
-# Copyright (C) 1996-2014 Free Software Foundation, Inc.
+# Copyright (C) 1996-2017 Free Software Foundation, Inc.
# This file is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
diff --git a/install/configure b/install/configure
index e9169d7b4e622540fcbdd46be3c96ba793b4e58a..1fd76d9ffe8556de197f1ae2e562be3024426ff8 100755
--- a/install/configure
+++ b/install/configure
@@ -9654,9 +9654,9 @@ $as_echo "$as_me: WARNING: *** HDF5 version must be newer equal to 1.8.16" >&2;}
if test "$have_hdf5" -eq 1 ; then
if test -e $with_hdf5_path/bin/h5pfc; then
- hdf5_libs=`$with_hdf5_path/bin/h5pfc -show | awk -F'-L' '{$1="";$2="-L"$2; print $0}'`
+ hdf5_libs=`$with_hdf5_path/bin/h5pfc -show | awk -F'-L' '{$1=""; for (i=2; i<=NF;i++) $i="-L"$i; print $0}'`
elif test -e $with_hdf5_path/bin/h5fc; then
- hdf5_libs=`$with_hdf5_path/bin/h5fc -show | awk -F'-L' '{$1="";$2="-L"$2; print $0}'`
+ hdf5_libs=`$with_hdf5_path/bin/h5fc -show | awk -F'-L' '{$1=""; for (i=2; i<=NF;i++) $i="-L"$i; print $0}'`
try_dflags="$try_dflags -D__HDF5_SERIAL"
else
hdf5_libs="-L$with_hdf5_path/lib -lhdf5_fortran -lhdf5 -lrt -lz -ldl -lm -Wl,-rpath -Wl,$with_hdf5_path/lib"
diff --git a/install/m4/x_ac_qe_hdf5.m4 b/install/m4/x_ac_qe_hdf5.m4
index c76ae9b73fbc6a0ba594e3b6be9dd0bfbd3c6157..f0ab3d4ba11f46ab696390689031aed9e0cbb054 100644
--- a/install/m4/x_ac_qe_hdf5.m4
+++ b/install/m4/x_ac_qe_hdf5.m4
@@ -91,9 +91,9 @@ if test "$use_parallel" -ne 0; then
if test "$have_hdf5" -eq 1 ; then
if test -e $with_hdf5_path/bin/h5pfc; then
- hdf5_libs=`$with_hdf5_path/bin/h5pfc -show | awk -F'-L' '{@S|@1="";@S|@2="-L"@S|@2; print @S|@0}'`
+ hdf5_libs=`$with_hdf5_path/bin/h5pfc -show | awk -F'-L' '{@S|@1=""; for (i=2; i<=NF;i++) @S|@i="-L"@S|@i; print @S|@0}'`
elif test -e $with_hdf5_path/bin/h5fc; then
- hdf5_libs=`$with_hdf5_path/bin/h5fc -show | awk -F'-L' '{@S|@1="";@S|@2="-L"@S|@2; print @S|@0}'`
+ hdf5_libs=`$with_hdf5_path/bin/h5fc -show | awk -F'-L' '{@S|@1=""; for (i=2; i<=NF;i++) @S|@i="-L"@S|@i; print @S|@0}'`
try_dflags="$try_dflags -D__HDF5_SERIAL"
else
hdf5_libs="-L$with_hdf5_path/lib -lhdf5_fortran -lhdf5 -lrt -lz -ldl -lm -Wl,-rpath -Wl,$with_hdf5_path/lib"
diff --git a/install/makedeps.sh b/install/makedeps.sh
index e90eb48a540155a17072707c54ee38ae131f1ce4..ef55f2d3180a981d313961315db68d532fe57da4 100755
--- a/install/makedeps.sh
+++ b/install/makedeps.sh
@@ -124,43 +124,10 @@ for dir in $dirs; do
if test "$DIR" = "UtilXlib"
then
- sed '/@elpa1@/d' make.depend > make.depend.tmp
- sed '/@ifcore@/d;/@cudafor@/d' make.depend.tmp > make.depend
- fi
-
- if test "$DIR" = "KS_Solvers/Davidson"
- then
-
- sed '/@elpa1@/d' make.depend > make.depend.tmp
- sed '/@ifcore@/d' make.depend.tmp > make.depend
- fi
-
- if test "$DIR" = "KS_Solvers/Davidson_RCI"
- then
- sed '/@elpa1@/d' make.depend > make.depend.tmp
- sed '/@ifcore@/d' make.depend.tmp > make.depend
- fi
-
- if test "$DIR" = "KS_Solvers/CG"
- then
-
- sed '/@elpa1@/d' make.depend > make.depend.tmp
- sed '/@ifcore@/d' make.depend.tmp > make.depend
+ sed '/@ifcore@/d' make.depend > make.depend.tmp
+ sed '/@cudafor@/d' make.depend.tmp > make.depend
fi
- if test "$DIR" = "KS_Solvers/PPCG"
- then
-
- sed '/@elpa1@/d' make.depend > make.depend.tmp
- sed '/@ifcore@/d' make.depend.tmp > make.depend
- fi
-
- if test "$DIR" = "Modules"
- then
-
- sed '/@elpa1@/d' make.depend > make.depend.tmp
- sed '/@ifcore@/d' make.depend.tmp > make.depend
- fi
if test "$DIR" = "PW/src" || test "$DIR" = "TDDFPT/src"
then
@@ -177,13 +144,9 @@ for dir in $dirs; do
if test "$DIR" = "EPW/src"
then
sed '/@f90_unix_io@/d' make.depend > make.depend.tmp
- cp make.depend.tmp make.depend
- sed '/@f90_unix_env@/d' make.depend > make.depend.tmp
- cp make.depend.tmp make.depend
+ sed '/@f90_unix_env@/d' make.depend.tmp > make.depend
sed '/@w90_io@/d' make.depend > make.depend.tmp
- cp make.depend.tmp make.depend
- sed '/@ifport@/d' make.depend > make.depend.tmp
- cp make.depend.tmp make.depend
+ sed '/@ifport@/d' make.depend.tmp > make.depend
fi
rm -f make.depend.tmp
diff --git a/install/plugins_list b/install/plugins_list
index 6d8b50447f60d7b0e57c1d8faa0c0697378f1aa6..714528ce2b135c0b9706da4ed53f7704d4e6a3d4 100644
--- a/install/plugins_list
+++ b/install/plugins_list
@@ -35,8 +35,8 @@ SAX=sax-2.0.3
SAX_URL=$(URL)$(SAX).tar.gz
#
# Package maintainer: Davide Ceresoli
-GIPAW=qe-gipaw-6.4
-GIPAW_URL=https://github.com/dceresoli/qe-gipaw/archive/6.4.tar.gz
+GIPAW=qe-gipaw-$(RELEASE_VERSION)
+GIPAW_URL=https://github.com/dceresoli/qe-gipaw/archive/$(RELEASE_VERSION).tar.gz
#
# Package maintainer: Layla Martin-Samos
PLUMED=plumed-1.3-qe
diff --git a/test-suite/epw_base/benchmark.out.git.inp=epw6.in.args=3 b/test-suite/epw_base/benchmark.out.git.inp=epw6.in.args=3
index f5d1e0f751e4d3ec51d85bfb660304702ac5a578..19727b04ffeae167f919d85732dabb9dcfe7d57e 100644
--- a/test-suite/epw_base/benchmark.out.git.inp=epw6.in.args=3
+++ b/test-suite/epw_base/benchmark.out.git.inp=epw6.in.args=3
@@ -27,7 +27,7 @@
Comput. Phys. Commun. 209, 116 (2016)
- Program EPW v.5.0.0 starts on 11Oct2018 at 14:46:22
+ Program EPW v.5.1.0 starts on 29Mar2019 at 17:47:53
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
@@ -57,9 +57,6 @@
number of atomic types = 0
kinetic-energy cut-off = 0.0000 Ry
charge density cut-off = 0.0000 Ry
- convergence threshold = 0.0E+00
- beta = 0.0000
- number of iterations used = 0
Exchange-correlation = not set (-1 -1 -1 -1-1-1)
@@ -110,6 +107,7 @@
Number of WS vectors for electrons 43
Number of WS vectors for phonons 43
Number of WS vectors for electron-phonon 43
+ Maximum number of cores for efficient parallelization 258
Results may improve by using use_ws == .true.
Reading Hamiltonian, Dynamical matrix and EP vertex in Wann rep from file
@@ -119,7 +117,7 @@
===================================================================
Memory usage: VmHWM = 14Mb
- VmPeak = 273Mb
+ VmPeak = 272Mb
===================================================================
Using uniform q-mesh: 6 6 6
@@ -141,6 +139,12 @@
Number of ep-matrix elements per pool : 20736 ~= 162.00 Kb (@ 8 bytes/ DP)
+
+ A selecq.fmt file was found but re-created because selecqread == .false.
+ Number selected, total 100 100
+ Number selected, total 200 200
+ We only need to compute 216 q-points
+
===================================================================
Phonon (Imaginary) Self-Energy in the Migdal Approximation
@@ -182,13 +186,13 @@
DOS = 0.055485 states/spin/eV/Unit Cell at Ef= 13.576273 eV
- Real and Imaginary part of the phonon self-energy (omega=0).
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
Omega( 1 )= 0.0000 eV Re[Pi]= 0.000000 meV Im[Pi]= 0.000000 meV
Omega( 2 )= 0.0000 eV Re[Pi]= 0.000000 meV Im[Pi]= 0.000000 meV
Omega( 3 )= 0.0000 eV Re[Pi]= 0.000000 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1156 eV Re[Pi]= 0.086940 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1156 eV Re[Pi]= 0.086940 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1156 eV Re[Pi]= 0.086940 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1156 eV Re[Pi]= -0.086940 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1156 eV Re[Pi]= -0.086940 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1156 eV Re[Pi]= -0.086940 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -210,12 +214,14 @@
lambda___( tot )= 2.667014
lambda_tr( tot )= 2.667016
- Omega( 1 )= 0.0336 eV Re[Pi]= 0.218867 meV Im[Pi]= 0.019991 meV
- Omega( 2 )= 0.0352 eV Re[Pi]= 0.209888 meV Im[Pi]= 0.019979 meV
- Omega( 3 )= 0.0594 eV Re[Pi]= 0.526613 meV Im[Pi]= -0.027101 meV
- Omega( 4 )= 0.1267 eV Re[Pi]= 9.253109 meV Im[Pi]= -0.603197 meV
- Omega( 5 )= 0.1272 eV Re[Pi]= 9.277936 meV Im[Pi]= -0.546159 meV
- Omega( 6 )= 0.1351 eV Re[Pi]= 6.053387 meV Im[Pi]= -0.362554 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0336 eV Re[Pi]= -0.218867 meV Im[Pi]= -0.019991 meV
+ Omega( 2 )= 0.0352 eV Re[Pi]= -0.209888 meV Im[Pi]= -0.019979 meV
+ Omega( 3 )= 0.0594 eV Re[Pi]= -0.526613 meV Im[Pi]= 0.027101 meV
+ Omega( 4 )= 0.1267 eV Re[Pi]= -9.253109 meV Im[Pi]= 0.603197 meV
+ Omega( 5 )= 0.1272 eV Re[Pi]= -9.277936 meV Im[Pi]= 0.546159 meV
+ Omega( 6 )= 0.1351 eV Re[Pi]= -6.053387 meV Im[Pi]= 0.362554 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -237,12 +243,14 @@
lambda___( tot )= 0.037636
lambda_tr( tot )= 0.037636
- Omega( 1 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1097 eV Re[Pi]= 0.410091 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1390 eV Re[Pi]= 5.117548 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1390 eV Re[Pi]= 5.117548 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1551 eV Re[Pi]= 1.966323 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0616 eV Re[Pi]= -0.096342 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0616 eV Re[Pi]= -0.096342 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1097 eV Re[Pi]= -0.410091 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1390 eV Re[Pi]= -5.117548 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1390 eV Re[Pi]= -5.117548 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1551 eV Re[Pi]= -1.966323 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -264,12 +272,14 @@
lambda___( tot )= 0.000344
lambda_tr( tot )= 0.000344
- Omega( 1 )= 0.0713 eV Re[Pi]= 0.030408 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0726 eV Re[Pi]= 0.030908 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1317 eV Re[Pi]= 0.316974 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1405 eV Re[Pi]= 3.721599 meV Im[Pi]= 0.000004 meV
- Omega( 5 )= 0.1412 eV Re[Pi]= 3.721216 meV Im[Pi]= 0.000001 meV
- Omega( 6 )= 0.1568 eV Re[Pi]= 1.241395 meV Im[Pi]= 0.000005 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0713 eV Re[Pi]= -0.030408 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0726 eV Re[Pi]= -0.030908 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1317 eV Re[Pi]= -0.316974 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1405 eV Re[Pi]= -3.721599 meV Im[Pi]= -0.000004 meV
+ Omega( 5 )= 0.1412 eV Re[Pi]= -3.721216 meV Im[Pi]= -0.000001 meV
+ Omega( 6 )= 0.1568 eV Re[Pi]= -1.241395 meV Im[Pi]= -0.000005 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -291,12 +301,14 @@
lambda___( tot )= 0.037636
lambda_tr( tot )= 0.037636
- Omega( 1 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1097 eV Re[Pi]= 0.410091 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1390 eV Re[Pi]= 5.117548 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1390 eV Re[Pi]= 5.117548 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1551 eV Re[Pi]= 1.966323 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0616 eV Re[Pi]= -0.096342 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0616 eV Re[Pi]= -0.096342 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1097 eV Re[Pi]= -0.410091 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1390 eV Re[Pi]= -5.117548 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1390 eV Re[Pi]= -5.117548 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1551 eV Re[Pi]= -1.966323 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -312,18 +324,20 @@
lambda___( 4 )= 0.945047 gamma___= 2.646297 meV omega= 126.7448 meV
lambda_tr( 4 )= 0.945047 gamma_tr= 2.646298 meV omega= 126.7448 meV
lambda___( 5 )= 0.965978 gamma___= 2.722955 meV omega= 127.1670 meV
- lambda_tr( 5 )= 0.965978 gamma_tr= 2.722955 meV omega= 127.1670 meV
+ lambda_tr( 5 )= 0.965978 gamma_tr= 2.722956 meV omega= 127.1670 meV
lambda___( 6 )= 0.261361 gamma___= 0.831536 meV omega= 135.1007 meV
lambda_tr( 6 )= 0.261362 gamma_tr= 0.831538 meV omega= 135.1007 meV
lambda___( tot )= 2.667023
- lambda_tr( tot )= 2.667023
+ lambda_tr( tot )= 2.667024
+
- Omega( 1 )= 0.0336 eV Re[Pi]= 0.218868 meV Im[Pi]= 0.019992 meV
- Omega( 2 )= 0.0352 eV Re[Pi]= 0.209888 meV Im[Pi]= 0.019979 meV
- Omega( 3 )= 0.0594 eV Re[Pi]= 0.526621 meV Im[Pi]= -0.027101 meV
- Omega( 4 )= 0.1267 eV Re[Pi]= 9.253093 meV Im[Pi]= -0.603190 meV
- Omega( 5 )= 0.1272 eV Re[Pi]= 9.277919 meV Im[Pi]= -0.546155 meV
- Omega( 6 )= 0.1351 eV Re[Pi]= 6.053401 meV Im[Pi]= -0.362556 meV
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0336 eV Re[Pi]= -0.218868 meV Im[Pi]= -0.019992 meV
+ Omega( 2 )= 0.0352 eV Re[Pi]= -0.209888 meV Im[Pi]= -0.019979 meV
+ Omega( 3 )= 0.0594 eV Re[Pi]= -0.526621 meV Im[Pi]= 0.027101 meV
+ Omega( 4 )= 0.1267 eV Re[Pi]= -9.253093 meV Im[Pi]= 0.603190 meV
+ Omega( 5 )= 0.1272 eV Re[Pi]= -9.277919 meV Im[Pi]= 0.546155 meV
+ Omega( 6 )= 0.1351 eV Re[Pi]= -6.053401 meV Im[Pi]= 0.362556 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -343,14 +357,16 @@
lambda___( 6 )= 0.273217 gamma___= 0.888832 meV omega= 136.6135 meV
lambda_tr( 6 )= 0.273217 gamma_tr= 0.888832 meV omega= 136.6135 meV
lambda___( tot )= -1.589818
- lambda_tr( tot )= -1.589827
+ lambda_tr( tot )= -1.589826
+
- Omega( 1 )= 0.0160 eV Re[Pi]= 1.049667 meV Im[Pi]= -0.114272 meV
- Omega( 2 )= 0.0160 eV Re[Pi]= 1.049668 meV Im[Pi]= -0.114272 meV
- Omega( 3 )= 0.0558 eV Re[Pi]= 0.534703 meV Im[Pi]= 0.006468 meV
- Omega( 4 )= 0.1306 eV Re[Pi]= 8.606128 meV Im[Pi]= -0.484044 meV
- Omega( 5 )= 0.1306 eV Re[Pi]= 8.606128 meV Im[Pi]= -0.484046 meV
- Omega( 6 )= 0.1366 eV Re[Pi]= 5.819945 meV Im[Pi]= -0.273826 meV
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0160 eV Re[Pi]= -1.049667 meV Im[Pi]= 0.114272 meV
+ Omega( 2 )= 0.0160 eV Re[Pi]= -1.049668 meV Im[Pi]= 0.114272 meV
+ Omega( 3 )= 0.0558 eV Re[Pi]= -0.534703 meV Im[Pi]= -0.006468 meV
+ Omega( 4 )= 0.1306 eV Re[Pi]= -8.606128 meV Im[Pi]= 0.484044 meV
+ Omega( 5 )= 0.1306 eV Re[Pi]= -8.606128 meV Im[Pi]= 0.484046 meV
+ Omega( 6 )= 0.1366 eV Re[Pi]= -5.819945 meV Im[Pi]= 0.273826 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -372,12 +388,14 @@
lambda___( tot )= 0.342208
lambda_tr( tot )= 0.342208
- Omega( 1 )= 0.0383 eV Re[Pi]= 0.231118 meV Im[Pi]= -0.004984 meV
- Omega( 2 )= 0.0417 eV Re[Pi]= 0.150732 meV Im[Pi]= -0.001980 meV
- Omega( 3 )= 0.0623 eV Re[Pi]= 0.917443 meV Im[Pi]= -0.005067 meV
- Omega( 4 )= 0.1318 eV Re[Pi]= 6.947275 meV Im[Pi]= -0.042669 meV
- Omega( 5 )= 0.1328 eV Re[Pi]= 6.668880 meV Im[Pi]= -0.043266 meV
- Omega( 6 )= 0.1402 eV Re[Pi]= 6.840956 meV Im[Pi]= -0.038352 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0383 eV Re[Pi]= -0.231118 meV Im[Pi]= 0.004984 meV
+ Omega( 2 )= 0.0417 eV Re[Pi]= -0.150732 meV Im[Pi]= 0.001980 meV
+ Omega( 3 )= 0.0623 eV Re[Pi]= -0.917443 meV Im[Pi]= 0.005067 meV
+ Omega( 4 )= 0.1318 eV Re[Pi]= -6.947275 meV Im[Pi]= 0.042669 meV
+ Omega( 5 )= 0.1328 eV Re[Pi]= -6.668880 meV Im[Pi]= 0.043266 meV
+ Omega( 6 )= 0.1402 eV Re[Pi]= -6.840956 meV Im[Pi]= 0.038352 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -399,12 +417,14 @@
lambda___( tot )= 0.001305
lambda_tr( tot )= 0.001305
- Omega( 1 )= 0.0647 eV Re[Pi]= 0.053468 meV Im[Pi]= -0.000005 meV
- Omega( 2 )= 0.0676 eV Re[Pi]= 0.221857 meV Im[Pi]= -0.000002 meV
- Omega( 3 )= 0.1000 eV Re[Pi]= 0.475707 meV Im[Pi]= -0.000003 meV
- Omega( 4 )= 0.1413 eV Re[Pi]= 3.296630 meV Im[Pi]= -0.000095 meV
- Omega( 5 )= 0.1433 eV Re[Pi]= 3.530940 meV Im[Pi]= -0.000219 meV
- Omega( 6 )= 0.1550 eV Re[Pi]= 2.181708 meV Im[Pi]= -0.000041 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0647 eV Re[Pi]= -0.053468 meV Im[Pi]= 0.000005 meV
+ Omega( 2 )= 0.0676 eV Re[Pi]= -0.221857 meV Im[Pi]= 0.000002 meV
+ Omega( 3 )= 0.1000 eV Re[Pi]= -0.475707 meV Im[Pi]= 0.000003 meV
+ Omega( 4 )= 0.1413 eV Re[Pi]= -3.296630 meV Im[Pi]= 0.000095 meV
+ Omega( 5 )= 0.1433 eV Re[Pi]= -3.530940 meV Im[Pi]= 0.000219 meV
+ Omega( 6 )= 0.1550 eV Re[Pi]= -2.181708 meV Im[Pi]= 0.000041 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -426,12 +446,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0778 eV Re[Pi]= 0.086942 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0880 eV Re[Pi]= 0.189647 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1260 eV Re[Pi]= 0.382844 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1420 eV Re[Pi]= 2.312967 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 2.083926 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1535 eV Re[Pi]= 1.128522 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0778 eV Re[Pi]= -0.086942 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0880 eV Re[Pi]= -0.189647 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1260 eV Re[Pi]= -0.382844 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1420 eV Re[Pi]= -2.312967 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -2.083926 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1535 eV Re[Pi]= -1.128522 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -453,12 +475,14 @@
lambda___( tot )= 0.000958
lambda_tr( tot )= 0.000958
- Omega( 1 )= 0.0728 eV Re[Pi]= 0.251433 meV Im[Pi]= -0.000004 meV
- Omega( 2 )= 0.0882 eV Re[Pi]= 0.118142 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1192 eV Re[Pi]= 0.453297 meV Im[Pi]= -0.000003 meV
- Omega( 4 )= 0.1415 eV Re[Pi]= 2.902086 meV Im[Pi]= -0.000031 meV
- Omega( 5 )= 0.1456 eV Re[Pi]= 2.361377 meV Im[Pi]= -0.000075 meV
- Omega( 6 )= 0.1526 eV Re[Pi]= 1.300406 meV Im[Pi]= 0.000026 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0728 eV Re[Pi]= -0.251433 meV Im[Pi]= 0.000004 meV
+ Omega( 2 )= 0.0882 eV Re[Pi]= -0.118142 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1192 eV Re[Pi]= -0.453297 meV Im[Pi]= 0.000003 meV
+ Omega( 4 )= 0.1415 eV Re[Pi]= -2.902086 meV Im[Pi]= 0.000031 meV
+ Omega( 5 )= 0.1456 eV Re[Pi]= -2.361377 meV Im[Pi]= 0.000075 meV
+ Omega( 6 )= 0.1526 eV Re[Pi]= -1.300406 meV Im[Pi]= -0.000026 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -480,12 +504,14 @@
lambda___( tot )= 0.597829
lambda_tr( tot )= 0.597829
- Omega( 1 )= 0.0486 eV Re[Pi]= 0.503578 meV Im[Pi]= 0.005502 meV
- Omega( 2 )= 0.0621 eV Re[Pi]= 0.117422 meV Im[Pi]= -0.006175 meV
- Omega( 3 )= 0.0863 eV Re[Pi]= 0.500003 meV Im[Pi]= -0.003932 meV
- Omega( 4 )= 0.1381 eV Re[Pi]= 5.691307 meV Im[Pi]= -0.139060 meV
- Omega( 5 )= 0.1410 eV Re[Pi]= 5.022522 meV Im[Pi]= -0.203345 meV
- Omega( 6 )= 0.1487 eV Re[Pi]= 2.308341 meV Im[Pi]= 0.000728 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0486 eV Re[Pi]= -0.503578 meV Im[Pi]= -0.005502 meV
+ Omega( 2 )= 0.0621 eV Re[Pi]= -0.117422 meV Im[Pi]= 0.006175 meV
+ Omega( 3 )= 0.0863 eV Re[Pi]= -0.500003 meV Im[Pi]= 0.003932 meV
+ Omega( 4 )= 0.1381 eV Re[Pi]= -5.691307 meV Im[Pi]= 0.139060 meV
+ Omega( 5 )= 0.1410 eV Re[Pi]= -5.022522 meV Im[Pi]= 0.203345 meV
+ Omega( 6 )= 0.1487 eV Re[Pi]= -2.308341 meV Im[Pi]= -0.000728 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -507,12 +533,14 @@
lambda___( tot )= 0.037636
lambda_tr( tot )= 0.037636
- Omega( 1 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1097 eV Re[Pi]= 0.410091 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1390 eV Re[Pi]= 5.117547 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1390 eV Re[Pi]= 5.117547 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1551 eV Re[Pi]= 1.966323 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0616 eV Re[Pi]= -0.096342 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0616 eV Re[Pi]= -0.096342 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1097 eV Re[Pi]= -0.410091 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1390 eV Re[Pi]= -5.117547 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1390 eV Re[Pi]= -5.117547 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1551 eV Re[Pi]= -1.966323 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -534,12 +562,14 @@
lambda___( tot )= 0.001298
lambda_tr( tot )= 0.001298
- Omega( 1 )= 0.0653 eV Re[Pi]= 0.047233 meV Im[Pi]= 0.000002 meV
- Omega( 2 )= 0.0693 eV Re[Pi]= 0.234799 meV Im[Pi]= -0.000001 meV
- Omega( 3 )= 0.1010 eV Re[Pi]= 0.521784 meV Im[Pi]= -0.000017 meV
- Omega( 4 )= 0.1411 eV Re[Pi]= 3.382070 meV Im[Pi]= -0.000040 meV
- Omega( 5 )= 0.1423 eV Re[Pi]= 3.457450 meV Im[Pi]= -0.000213 meV
- Omega( 6 )= 0.1545 eV Re[Pi]= 2.155109 meV Im[Pi]= -0.000021 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0653 eV Re[Pi]= -0.047233 meV Im[Pi]= -0.000002 meV
+ Omega( 2 )= 0.0693 eV Re[Pi]= -0.234799 meV Im[Pi]= 0.000001 meV
+ Omega( 3 )= 0.1010 eV Re[Pi]= -0.521784 meV Im[Pi]= 0.000017 meV
+ Omega( 4 )= 0.1411 eV Re[Pi]= -3.382070 meV Im[Pi]= 0.000040 meV
+ Omega( 5 )= 0.1423 eV Re[Pi]= -3.457450 meV Im[Pi]= 0.000213 meV
+ Omega( 6 )= 0.1545 eV Re[Pi]= -2.155109 meV Im[Pi]= 0.000021 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -561,12 +591,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0836 eV Re[Pi]= 0.080148 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1182 eV Re[Pi]= 0.679991 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1437 eV Re[Pi]= 1.677079 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1437 eV Re[Pi]= 1.677078 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1633 eV Re[Pi]= 1.707673 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0836 eV Re[Pi]= -0.080148 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0836 eV Re[Pi]= -0.080149 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1182 eV Re[Pi]= -0.679991 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1437 eV Re[Pi]= -1.677079 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1437 eV Re[Pi]= -1.677078 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1633 eV Re[Pi]= -1.707673 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -588,12 +620,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0955 eV Re[Pi]= 0.101257 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1056 eV Re[Pi]= 0.172282 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1301 eV Re[Pi]= 0.532750 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1407 eV Re[Pi]= 1.255726 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1437 eV Re[Pi]= 0.877283 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1595 eV Re[Pi]= 1.186889 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0955 eV Re[Pi]= -0.101257 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1056 eV Re[Pi]= -0.172282 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1301 eV Re[Pi]= -0.532750 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1407 eV Re[Pi]= -1.255726 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1437 eV Re[Pi]= -0.877283 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1595 eV Re[Pi]= -1.186889 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -615,12 +649,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.1225 eV Re[Pi]= 0.416338 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1230 eV Re[Pi]= 0.226653 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1393 eV Re[Pi]= 1.569364 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0907 eV Re[Pi]= -0.185489 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.1225 eV Re[Pi]= -0.416338 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1230 eV Re[Pi]= -0.226653 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1348 eV Re[Pi]= -0.306946 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1393 eV Re[Pi]= -1.569364 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -1.763995 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -642,12 +678,14 @@
lambda___( tot )= 0.000992
lambda_tr( tot )= 0.000992
- Omega( 1 )= 0.0762 eV Re[Pi]= 0.215287 meV Im[Pi]= 0.000001 meV
- Omega( 2 )= 0.0888 eV Re[Pi]= 0.103412 meV Im[Pi]= 0.000001 meV
- Omega( 3 )= 0.1199 eV Re[Pi]= 0.436471 meV Im[Pi]= -0.000002 meV
- Omega( 4 )= 0.1397 eV Re[Pi]= 2.998940 meV Im[Pi]= -0.000038 meV
- Omega( 5 )= 0.1451 eV Re[Pi]= 2.325488 meV Im[Pi]= -0.000048 meV
- Omega( 6 )= 0.1521 eV Re[Pi]= 1.452732 meV Im[Pi]= -0.000024 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0762 eV Re[Pi]= -0.215287 meV Im[Pi]= -0.000001 meV
+ Omega( 2 )= 0.0888 eV Re[Pi]= -0.103412 meV Im[Pi]= -0.000001 meV
+ Omega( 3 )= 0.1199 eV Re[Pi]= -0.436471 meV Im[Pi]= 0.000002 meV
+ Omega( 4 )= 0.1397 eV Re[Pi]= -2.998940 meV Im[Pi]= 0.000038 meV
+ Omega( 5 )= 0.1451 eV Re[Pi]= -2.325488 meV Im[Pi]= 0.000048 meV
+ Omega( 6 )= 0.1521 eV Re[Pi]= -1.452732 meV Im[Pi]= 0.000024 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -669,12 +707,14 @@
lambda___( tot )= 0.000334
lambda_tr( tot )= 0.000334
- Omega( 1 )= 0.0777 eV Re[Pi]= 0.026526 meV Im[Pi]= 0.000001 meV
- Omega( 2 )= 0.0777 eV Re[Pi]= 0.026525 meV Im[Pi]= 0.000001 meV
- Omega( 3 )= 0.1360 eV Re[Pi]= 0.307307 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1377 eV Re[Pi]= 3.637735 meV Im[Pi]= -0.000012 meV
- Omega( 5 )= 0.1377 eV Re[Pi]= 3.637735 meV Im[Pi]= -0.000012 meV
- Omega( 6 )= 0.1531 eV Re[Pi]= 1.287103 meV Im[Pi]= 0.000002 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0777 eV Re[Pi]= -0.026526 meV Im[Pi]= -0.000001 meV
+ Omega( 2 )= 0.0777 eV Re[Pi]= -0.026525 meV Im[Pi]= -0.000001 meV
+ Omega( 3 )= 0.1360 eV Re[Pi]= -0.307307 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1377 eV Re[Pi]= -3.637735 meV Im[Pi]= 0.000012 meV
+ Omega( 5 )= 0.1377 eV Re[Pi]= -3.637735 meV Im[Pi]= 0.000012 meV
+ Omega( 6 )= 0.1531 eV Re[Pi]= -1.287103 meV Im[Pi]= -0.000002 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -696,12 +736,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0831 eV Re[Pi]= 0.071479 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0916 eV Re[Pi]= 0.191295 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1283 eV Re[Pi]= 0.481238 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1390 eV Re[Pi]= 2.363553 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1455 eV Re[Pi]= 2.063515 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1507 eV Re[Pi]= 1.103289 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0831 eV Re[Pi]= -0.071479 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0916 eV Re[Pi]= -0.191295 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1283 eV Re[Pi]= -0.481238 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1390 eV Re[Pi]= -2.363553 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1455 eV Re[Pi]= -2.063515 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1507 eV Re[Pi]= -1.103289 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -723,12 +765,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0990 eV Re[Pi]= 0.091644 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1088 eV Re[Pi]= 0.149577 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1310 eV Re[Pi]= 0.637605 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1382 eV Re[Pi]= 1.263147 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1448 eV Re[Pi]= 0.824802 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1556 eV Re[Pi]= 1.137896 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0990 eV Re[Pi]= -0.091644 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1088 eV Re[Pi]= -0.149577 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1310 eV Re[Pi]= -0.637605 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1382 eV Re[Pi]= -1.263147 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1448 eV Re[Pi]= -0.824802 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1556 eV Re[Pi]= -1.137896 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -750,12 +794,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.1055 eV Re[Pi]= 0.075331 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1099 eV Re[Pi]= 0.071207 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1353 eV Re[Pi]= 0.982483 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1388 eV Re[Pi]= 0.981597 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1519 eV Re[Pi]= 0.798119 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1564 eV Re[Pi]= 0.787739 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.1055 eV Re[Pi]= -0.075331 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1099 eV Re[Pi]= -0.071207 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1353 eV Re[Pi]= -0.982483 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1388 eV Re[Pi]= -0.981597 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1519 eV Re[Pi]= -0.798119 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1564 eV Re[Pi]= -0.787739 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -777,12 +823,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0990 eV Re[Pi]= 0.091644 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1088 eV Re[Pi]= 0.149576 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1310 eV Re[Pi]= 0.637596 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1382 eV Re[Pi]= 1.263154 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1448 eV Re[Pi]= 0.824798 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1556 eV Re[Pi]= 1.137881 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0990 eV Re[Pi]= -0.091644 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1088 eV Re[Pi]= -0.149576 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1310 eV Re[Pi]= -0.637596 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1382 eV Re[Pi]= -1.263154 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1448 eV Re[Pi]= -0.824798 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1556 eV Re[Pi]= -1.137881 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -804,12 +852,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0831 eV Re[Pi]= 0.071480 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0916 eV Re[Pi]= 0.191291 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1283 eV Re[Pi]= 0.481238 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1390 eV Re[Pi]= 2.363581 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1455 eV Re[Pi]= 2.063487 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1507 eV Re[Pi]= 1.103281 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0831 eV Re[Pi]= -0.071480 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0916 eV Re[Pi]= -0.191291 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1283 eV Re[Pi]= -0.481238 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1390 eV Re[Pi]= -2.363581 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1455 eV Re[Pi]= -2.063487 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1507 eV Re[Pi]= -1.103281 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -831,12 +881,14 @@
lambda___( tot )= 0.037636
lambda_tr( tot )= 0.037636
- Omega( 1 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1097 eV Re[Pi]= 0.410091 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1390 eV Re[Pi]= 5.117547 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1390 eV Re[Pi]= 5.117548 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1551 eV Re[Pi]= 1.966323 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0616 eV Re[Pi]= -0.096342 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0616 eV Re[Pi]= -0.096342 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1097 eV Re[Pi]= -0.410091 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1390 eV Re[Pi]= -5.117547 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1390 eV Re[Pi]= -5.117548 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1551 eV Re[Pi]= -1.966323 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -858,12 +910,14 @@
lambda___( tot )= 0.000992
lambda_tr( tot )= 0.000992
- Omega( 1 )= 0.0762 eV Re[Pi]= 0.215286 meV Im[Pi]= 0.000001 meV
- Omega( 2 )= 0.0888 eV Re[Pi]= 0.103410 meV Im[Pi]= 0.000001 meV
- Omega( 3 )= 0.1199 eV Re[Pi]= 0.436467 meV Im[Pi]= -0.000002 meV
- Omega( 4 )= 0.1397 eV Re[Pi]= 2.998920 meV Im[Pi]= -0.000038 meV
- Omega( 5 )= 0.1451 eV Re[Pi]= 2.325500 meV Im[Pi]= -0.000048 meV
- Omega( 6 )= 0.1521 eV Re[Pi]= 1.452741 meV Im[Pi]= -0.000024 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0762 eV Re[Pi]= -0.215286 meV Im[Pi]= -0.000001 meV
+ Omega( 2 )= 0.0888 eV Re[Pi]= -0.103410 meV Im[Pi]= -0.000001 meV
+ Omega( 3 )= 0.1199 eV Re[Pi]= -0.436467 meV Im[Pi]= 0.000002 meV
+ Omega( 4 )= 0.1397 eV Re[Pi]= -2.998920 meV Im[Pi]= 0.000038 meV
+ Omega( 5 )= 0.1451 eV Re[Pi]= -2.325500 meV Im[Pi]= 0.000048 meV
+ Omega( 6 )= 0.1521 eV Re[Pi]= -1.452741 meV Im[Pi]= 0.000024 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -885,12 +939,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.1225 eV Re[Pi]= 0.416338 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1230 eV Re[Pi]= 0.226653 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1393 eV Re[Pi]= 1.569364 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0907 eV Re[Pi]= -0.185489 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.1225 eV Re[Pi]= -0.416338 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1230 eV Re[Pi]= -0.226653 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1348 eV Re[Pi]= -0.306946 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1393 eV Re[Pi]= -1.569364 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -1.763995 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -912,12 +968,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0955 eV Re[Pi]= 0.101257 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1056 eV Re[Pi]= 0.172282 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1301 eV Re[Pi]= 0.532749 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1407 eV Re[Pi]= 1.255732 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1437 eV Re[Pi]= 0.877281 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1595 eV Re[Pi]= 1.186884 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0955 eV Re[Pi]= -0.101257 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1056 eV Re[Pi]= -0.172282 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1301 eV Re[Pi]= -0.532749 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1407 eV Re[Pi]= -1.255732 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1437 eV Re[Pi]= -0.877281 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1595 eV Re[Pi]= -1.186884 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -939,12 +997,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0836 eV Re[Pi]= 0.080148 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0836 eV Re[Pi]= 0.080148 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1182 eV Re[Pi]= 0.679990 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1437 eV Re[Pi]= 1.677077 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1437 eV Re[Pi]= 1.677077 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1633 eV Re[Pi]= 1.707673 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0836 eV Re[Pi]= -0.080148 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0836 eV Re[Pi]= -0.080148 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1182 eV Re[Pi]= -0.679990 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1437 eV Re[Pi]= -1.677077 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1437 eV Re[Pi]= -1.677077 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1633 eV Re[Pi]= -1.707673 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -966,12 +1026,14 @@
lambda___( tot )= 0.001298
lambda_tr( tot )= 0.001298
- Omega( 1 )= 0.0653 eV Re[Pi]= 0.047234 meV Im[Pi]= 0.000002 meV
- Omega( 2 )= 0.0693 eV Re[Pi]= 0.234799 meV Im[Pi]= -0.000001 meV
- Omega( 3 )= 0.1010 eV Re[Pi]= 0.521779 meV Im[Pi]= -0.000017 meV
- Omega( 4 )= 0.1411 eV Re[Pi]= 3.382078 meV Im[Pi]= -0.000040 meV
- Omega( 5 )= 0.1423 eV Re[Pi]= 3.457432 meV Im[Pi]= -0.000213 meV
- Omega( 6 )= 0.1545 eV Re[Pi]= 2.155114 meV Im[Pi]= -0.000021 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0653 eV Re[Pi]= -0.047234 meV Im[Pi]= -0.000002 meV
+ Omega( 2 )= 0.0693 eV Re[Pi]= -0.234799 meV Im[Pi]= 0.000001 meV
+ Omega( 3 )= 0.1010 eV Re[Pi]= -0.521779 meV Im[Pi]= 0.000017 meV
+ Omega( 4 )= 0.1411 eV Re[Pi]= -3.382078 meV Im[Pi]= 0.000040 meV
+ Omega( 5 )= 0.1423 eV Re[Pi]= -3.457432 meV Im[Pi]= 0.000213 meV
+ Omega( 6 )= 0.1545 eV Re[Pi]= -2.155114 meV Im[Pi]= 0.000021 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -991,14 +1053,16 @@
lambda___( 6 )= 0.273220 gamma___= 0.888840 meV omega= 136.6135 meV
lambda_tr( 6 )= 0.273220 gamma_tr= 0.888841 meV omega= 136.6135 meV
lambda___( tot )= -1.590023
- lambda_tr( tot )= -1.590012
+ lambda_tr( tot )= -1.590013
- Omega( 1 )= 0.0160 eV Re[Pi]= 1.049667 meV Im[Pi]= -0.114277 meV
- Omega( 2 )= 0.0160 eV Re[Pi]= 1.049665 meV Im[Pi]= -0.114277 meV
- Omega( 3 )= 0.0558 eV Re[Pi]= 0.534704 meV Im[Pi]= 0.006466 meV
- Omega( 4 )= 0.1306 eV Re[Pi]= 8.606113 meV Im[Pi]= -0.484041 meV
- Omega( 5 )= 0.1306 eV Re[Pi]= 8.606115 meV Im[Pi]= -0.484043 meV
- Omega( 6 )= 0.1366 eV Re[Pi]= 5.819968 meV Im[Pi]= -0.273830 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0160 eV Re[Pi]= -1.049667 meV Im[Pi]= 0.114277 meV
+ Omega( 2 )= 0.0160 eV Re[Pi]= -1.049665 meV Im[Pi]= 0.114277 meV
+ Omega( 3 )= 0.0558 eV Re[Pi]= -0.534704 meV Im[Pi]= -0.006466 meV
+ Omega( 4 )= 0.1306 eV Re[Pi]= -8.606113 meV Im[Pi]= 0.484041 meV
+ Omega( 5 )= 0.1306 eV Re[Pi]= -8.606115 meV Im[Pi]= 0.484043 meV
+ Omega( 6 )= 0.1366 eV Re[Pi]= -5.819968 meV Im[Pi]= 0.273830 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1014,18 +1078,20 @@
lambda___( 4 )= 0.247235 gamma___= 0.822392 meV omega= 138.1407 meV
lambda_tr( 4 )= 0.247235 gamma_tr= 0.822392 meV omega= 138.1407 meV
lambda___( 5 )= 0.235706 gamma___= 0.816817 meV omega= 140.9986 meV
- lambda_tr( 5 )= 0.235706 gamma_tr= 0.816818 meV omega= 140.9986 meV
+ lambda_tr( 5 )= 0.235706 gamma_tr= 0.816817 meV omega= 140.9986 meV
lambda___( 6 )= 0.000776 gamma___= 0.002990 meV omega= 148.7012 meV
lambda_tr( 6 )= 0.000776 gamma_tr= 0.002990 meV omega= 148.7012 meV
lambda___( tot )= 0.597825
- lambda_tr( tot )= 0.597826
+ lambda_tr( tot )= 0.597825
+
- Omega( 1 )= 0.0486 eV Re[Pi]= 0.503579 meV Im[Pi]= 0.005501 meV
- Omega( 2 )= 0.0621 eV Re[Pi]= 0.117427 meV Im[Pi]= -0.006175 meV
- Omega( 3 )= 0.0863 eV Re[Pi]= 0.500008 meV Im[Pi]= -0.003932 meV
- Omega( 4 )= 0.1381 eV Re[Pi]= 5.691304 meV Im[Pi]= -0.139060 meV
- Omega( 5 )= 0.1410 eV Re[Pi]= 5.022502 meV Im[Pi]= -0.203345 meV
- Omega( 6 )= 0.1487 eV Re[Pi]= 2.308344 meV Im[Pi]= 0.000727 meV
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0486 eV Re[Pi]= -0.503579 meV Im[Pi]= -0.005501 meV
+ Omega( 2 )= 0.0621 eV Re[Pi]= -0.117427 meV Im[Pi]= 0.006175 meV
+ Omega( 3 )= 0.0863 eV Re[Pi]= -0.500008 meV Im[Pi]= 0.003932 meV
+ Omega( 4 )= 0.1381 eV Re[Pi]= -5.691304 meV Im[Pi]= 0.139060 meV
+ Omega( 5 )= 0.1410 eV Re[Pi]= -5.022502 meV Im[Pi]= 0.203345 meV
+ Omega( 6 )= 0.1487 eV Re[Pi]= -2.308344 meV Im[Pi]= -0.000727 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1047,12 +1113,14 @@
lambda___( tot )= 0.000958
lambda_tr( tot )= 0.000958
- Omega( 1 )= 0.0728 eV Re[Pi]= 0.251434 meV Im[Pi]= -0.000004 meV
- Omega( 2 )= 0.0882 eV Re[Pi]= 0.118141 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1192 eV Re[Pi]= 0.453312 meV Im[Pi]= -0.000003 meV
- Omega( 4 )= 0.1415 eV Re[Pi]= 2.902106 meV Im[Pi]= -0.000031 meV
- Omega( 5 )= 0.1456 eV Re[Pi]= 2.361348 meV Im[Pi]= -0.000075 meV
- Omega( 6 )= 0.1526 eV Re[Pi]= 1.300390 meV Im[Pi]= 0.000026 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0728 eV Re[Pi]= -0.251434 meV Im[Pi]= 0.000004 meV
+ Omega( 2 )= 0.0882 eV Re[Pi]= -0.118141 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1192 eV Re[Pi]= -0.453312 meV Im[Pi]= 0.000003 meV
+ Omega( 4 )= 0.1415 eV Re[Pi]= -2.902106 meV Im[Pi]= 0.000031 meV
+ Omega( 5 )= 0.1456 eV Re[Pi]= -2.361348 meV Im[Pi]= 0.000075 meV
+ Omega( 6 )= 0.1526 eV Re[Pi]= -1.300390 meV Im[Pi]= -0.000026 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1074,12 +1142,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0778 eV Re[Pi]= 0.086943 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0880 eV Re[Pi]= 0.189646 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1260 eV Re[Pi]= 0.382847 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1420 eV Re[Pi]= 2.312996 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 2.083906 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1535 eV Re[Pi]= 1.128519 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0778 eV Re[Pi]= -0.086943 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0880 eV Re[Pi]= -0.189646 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1260 eV Re[Pi]= -0.382847 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1420 eV Re[Pi]= -2.312996 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -2.083906 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1535 eV Re[Pi]= -1.128519 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1101,12 +1171,14 @@
lambda___( tot )= 0.001305
lambda_tr( tot )= 0.001305
- Omega( 1 )= 0.0647 eV Re[Pi]= 0.053468 meV Im[Pi]= -0.000005 meV
- Omega( 2 )= 0.0676 eV Re[Pi]= 0.221857 meV Im[Pi]= -0.000002 meV
- Omega( 3 )= 0.1000 eV Re[Pi]= 0.475714 meV Im[Pi]= -0.000003 meV
- Omega( 4 )= 0.1413 eV Re[Pi]= 3.296640 meV Im[Pi]= -0.000095 meV
- Omega( 5 )= 0.1433 eV Re[Pi]= 3.530932 meV Im[Pi]= -0.000219 meV
- Omega( 6 )= 0.1550 eV Re[Pi]= 2.181719 meV Im[Pi]= -0.000041 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0647 eV Re[Pi]= -0.053468 meV Im[Pi]= 0.000005 meV
+ Omega( 2 )= 0.0676 eV Re[Pi]= -0.221857 meV Im[Pi]= 0.000002 meV
+ Omega( 3 )= 0.1000 eV Re[Pi]= -0.475714 meV Im[Pi]= 0.000003 meV
+ Omega( 4 )= 0.1413 eV Re[Pi]= -3.296640 meV Im[Pi]= 0.000095 meV
+ Omega( 5 )= 0.1433 eV Re[Pi]= -3.530932 meV Im[Pi]= 0.000219 meV
+ Omega( 6 )= 0.1550 eV Re[Pi]= -2.181719 meV Im[Pi]= 0.000041 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1128,12 +1200,14 @@
lambda___( tot )= 0.342209
lambda_tr( tot )= 0.342209
- Omega( 1 )= 0.0383 eV Re[Pi]= 0.231115 meV Im[Pi]= -0.004984 meV
- Omega( 2 )= 0.0417 eV Re[Pi]= 0.150735 meV Im[Pi]= -0.001980 meV
- Omega( 3 )= 0.0623 eV Re[Pi]= 0.917459 meV Im[Pi]= -0.005067 meV
- Omega( 4 )= 0.1318 eV Re[Pi]= 6.947303 meV Im[Pi]= -0.042669 meV
- Omega( 5 )= 0.1328 eV Re[Pi]= 6.668861 meV Im[Pi]= -0.043266 meV
- Omega( 6 )= 0.1402 eV Re[Pi]= 6.840969 meV Im[Pi]= -0.038352 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0383 eV Re[Pi]= -0.231115 meV Im[Pi]= 0.004984 meV
+ Omega( 2 )= 0.0417 eV Re[Pi]= -0.150735 meV Im[Pi]= 0.001980 meV
+ Omega( 3 )= 0.0623 eV Re[Pi]= -0.917459 meV Im[Pi]= 0.005067 meV
+ Omega( 4 )= 0.1318 eV Re[Pi]= -6.947303 meV Im[Pi]= 0.042669 meV
+ Omega( 5 )= 0.1328 eV Re[Pi]= -6.668861 meV Im[Pi]= 0.043266 meV
+ Omega( 6 )= 0.1402 eV Re[Pi]= -6.840969 meV Im[Pi]= 0.038352 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1143,7 +1217,7 @@
lambda___( 1 )= 0.205832 gamma___= 0.040551 meV omega= 33.6189 meV
lambda_tr( 1 )= 0.205833 gamma_tr= 0.040551 meV omega= 33.6189 meV
lambda___( 2 )= 0.184419 gamma___= 0.039791 meV omega= 35.1825 meV
- lambda_tr( 2 )= 0.184420 gamma_tr= 0.039791 meV omega= 35.1825 meV
+ lambda_tr( 2 )= 0.184419 gamma_tr= 0.039791 meV omega= 35.1825 meV
lambda___( 3 )= 0.104383 gamma___= 0.064167 meV omega= 59.3850 meV
lambda_tr( 3 )= 0.104384 gamma_tr= 0.064167 meV omega= 59.3850 meV
lambda___( 4 )= 0.945046 gamma___= 2.646296 meV omega= 126.7448 meV
@@ -1151,16 +1225,18 @@
lambda___( 5 )= 0.965978 gamma___= 2.722957 meV omega= 127.1670 meV
lambda_tr( 5 )= 0.965981 gamma_tr= 2.722965 meV omega= 127.1670 meV
lambda___( 6 )= 0.261361 gamma___= 0.831534 meV omega= 135.1007 meV
- lambda_tr( 6 )= 0.261361 gamma_tr= 0.831537 meV omega= 135.1007 meV
+ lambda_tr( 6 )= 0.261361 gamma_tr= 0.831536 meV omega= 135.1007 meV
lambda___( tot )= 2.667021
- lambda_tr( tot )= 2.667028
+ lambda_tr( tot )= 2.667027
+
- Omega( 1 )= 0.0336 eV Re[Pi]= 0.218867 meV Im[Pi]= 0.019992 meV
- Omega( 2 )= 0.0352 eV Re[Pi]= 0.209888 meV Im[Pi]= 0.019979 meV
- Omega( 3 )= 0.0594 eV Re[Pi]= 0.526613 meV Im[Pi]= -0.027101 meV
- Omega( 4 )= 0.1267 eV Re[Pi]= 9.253108 meV Im[Pi]= -0.603196 meV
- Omega( 5 )= 0.1272 eV Re[Pi]= 9.277937 meV Im[Pi]= -0.546159 meV
- Omega( 6 )= 0.1351 eV Re[Pi]= 6.053386 meV Im[Pi]= -0.362554 meV
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0336 eV Re[Pi]= -0.218867 meV Im[Pi]= -0.019992 meV
+ Omega( 2 )= 0.0352 eV Re[Pi]= -0.209888 meV Im[Pi]= -0.019979 meV
+ Omega( 3 )= 0.0594 eV Re[Pi]= -0.526613 meV Im[Pi]= 0.027101 meV
+ Omega( 4 )= 0.1267 eV Re[Pi]= -9.253108 meV Im[Pi]= 0.603196 meV
+ Omega( 5 )= 0.1272 eV Re[Pi]= -9.277937 meV Im[Pi]= 0.546159 meV
+ Omega( 6 )= 0.1351 eV Re[Pi]= -6.053386 meV Im[Pi]= 0.362554 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1182,12 +1258,14 @@
lambda___( tot )= 0.342209
lambda_tr( tot )= 0.342209
- Omega( 1 )= 0.0383 eV Re[Pi]= 0.231115 meV Im[Pi]= -0.004984 meV
- Omega( 2 )= 0.0417 eV Re[Pi]= 0.150735 meV Im[Pi]= -0.001980 meV
- Omega( 3 )= 0.0623 eV Re[Pi]= 0.917460 meV Im[Pi]= -0.005067 meV
- Omega( 4 )= 0.1318 eV Re[Pi]= 6.947305 meV Im[Pi]= -0.042669 meV
- Omega( 5 )= 0.1328 eV Re[Pi]= 6.668860 meV Im[Pi]= -0.043266 meV
- Omega( 6 )= 0.1402 eV Re[Pi]= 6.840969 meV Im[Pi]= -0.038352 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0383 eV Re[Pi]= -0.231115 meV Im[Pi]= 0.004984 meV
+ Omega( 2 )= 0.0417 eV Re[Pi]= -0.150735 meV Im[Pi]= 0.001980 meV
+ Omega( 3 )= 0.0623 eV Re[Pi]= -0.917460 meV Im[Pi]= 0.005067 meV
+ Omega( 4 )= 0.1318 eV Re[Pi]= -6.947305 meV Im[Pi]= 0.042669 meV
+ Omega( 5 )= 0.1328 eV Re[Pi]= -6.668860 meV Im[Pi]= 0.043266 meV
+ Omega( 6 )= 0.1402 eV Re[Pi]= -6.840969 meV Im[Pi]= 0.038352 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1209,12 +1287,14 @@
lambda___( tot )= 0.001298
lambda_tr( tot )= 0.001298
- Omega( 1 )= 0.0661 eV Re[Pi]= 0.077123 meV Im[Pi]= 0.000003 meV
- Omega( 2 )= 0.0682 eV Re[Pi]= 0.240713 meV Im[Pi]= -0.000006 meV
- Omega( 3 )= 0.1003 eV Re[Pi]= 0.542963 meV Im[Pi]= -0.000010 meV
- Omega( 4 )= 0.1407 eV Re[Pi]= 3.380779 meV Im[Pi]= -0.000044 meV
- Omega( 5 )= 0.1429 eV Re[Pi]= 3.456799 meV Im[Pi]= -0.000217 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 2.142352 meV Im[Pi]= -0.000021 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0661 eV Re[Pi]= -0.077123 meV Im[Pi]= -0.000003 meV
+ Omega( 2 )= 0.0682 eV Re[Pi]= -0.240713 meV Im[Pi]= 0.000006 meV
+ Omega( 3 )= 0.1003 eV Re[Pi]= -0.542963 meV Im[Pi]= 0.000010 meV
+ Omega( 4 )= 0.1407 eV Re[Pi]= -3.380779 meV Im[Pi]= 0.000044 meV
+ Omega( 5 )= 0.1429 eV Re[Pi]= -3.456799 meV Im[Pi]= 0.000217 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -2.142352 meV Im[Pi]= 0.000021 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1236,12 +1316,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0797 eV Re[Pi]= 0.080940 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0877 eV Re[Pi]= 0.192632 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1267 eV Re[Pi]= 0.402104 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1409 eV Re[Pi]= 2.382174 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1465 eV Re[Pi]= 2.030834 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.206148 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0797 eV Re[Pi]= -0.080940 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0877 eV Re[Pi]= -0.192632 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1267 eV Re[Pi]= -0.402104 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1409 eV Re[Pi]= -2.382174 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1465 eV Re[Pi]= -2.030834 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.206148 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1263,12 +1345,14 @@
lambda___( tot )= 0.000991
lambda_tr( tot )= 0.000991
- Omega( 1 )= 0.0736 eV Re[Pi]= 0.213449 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0861 eV Re[Pi]= 0.106405 meV Im[Pi]= 0.000001 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.390537 meV Im[Pi]= -0.000001 meV
- Omega( 4 )= 0.1410 eV Re[Pi]= 2.999272 meV Im[Pi]= -0.000030 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 2.436851 meV Im[Pi]= -0.000060 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.350450 meV Im[Pi]= -0.000012 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0736 eV Re[Pi]= -0.213449 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0861 eV Re[Pi]= -0.106405 meV Im[Pi]= -0.000001 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.390537 meV Im[Pi]= 0.000001 meV
+ Omega( 4 )= 0.1410 eV Re[Pi]= -2.999272 meV Im[Pi]= 0.000030 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -2.436851 meV Im[Pi]= 0.000060 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.350450 meV Im[Pi]= 0.000012 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1290,12 +1374,14 @@
lambda___( tot )= 0.617055
lambda_tr( tot )= 0.617056
- Omega( 1 )= 0.0527 eV Re[Pi]= 0.345873 meV Im[Pi]= 0.014215 meV
- Omega( 2 )= 0.0645 eV Re[Pi]= 0.055450 meV Im[Pi]= -0.000106 meV
- Omega( 3 )= 0.0869 eV Re[Pi]= 0.483248 meV Im[Pi]= -0.000418 meV
- Omega( 4 )= 0.1365 eV Re[Pi]= 5.968593 meV Im[Pi]= -0.179929 meV
- Omega( 5 )= 0.1403 eV Re[Pi]= 5.271981 meV Im[Pi]= -0.236872 meV
- Omega( 6 )= 0.1481 eV Re[Pi]= 2.346302 meV Im[Pi]= -0.000073 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0527 eV Re[Pi]= -0.345873 meV Im[Pi]= -0.014215 meV
+ Omega( 2 )= 0.0645 eV Re[Pi]= -0.055450 meV Im[Pi]= 0.000106 meV
+ Omega( 3 )= 0.0869 eV Re[Pi]= -0.483248 meV Im[Pi]= 0.000418 meV
+ Omega( 4 )= 0.1365 eV Re[Pi]= -5.968593 meV Im[Pi]= 0.179929 meV
+ Omega( 5 )= 0.1403 eV Re[Pi]= -5.271981 meV Im[Pi]= 0.236872 meV
+ Omega( 6 )= 0.1481 eV Re[Pi]= -2.346302 meV Im[Pi]= 0.000073 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1317,12 +1403,14 @@
lambda___( tot )= 0.342208
lambda_tr( tot )= 0.342208
- Omega( 1 )= 0.0383 eV Re[Pi]= 0.231117 meV Im[Pi]= -0.004984 meV
- Omega( 2 )= 0.0417 eV Re[Pi]= 0.150731 meV Im[Pi]= -0.001980 meV
- Omega( 3 )= 0.0623 eV Re[Pi]= 0.917443 meV Im[Pi]= -0.005067 meV
- Omega( 4 )= 0.1318 eV Re[Pi]= 6.947274 meV Im[Pi]= -0.042669 meV
- Omega( 5 )= 0.1328 eV Re[Pi]= 6.668880 meV Im[Pi]= -0.043266 meV
- Omega( 6 )= 0.1402 eV Re[Pi]= 6.840957 meV Im[Pi]= -0.038352 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0383 eV Re[Pi]= -0.231117 meV Im[Pi]= 0.004984 meV
+ Omega( 2 )= 0.0417 eV Re[Pi]= -0.150731 meV Im[Pi]= 0.001980 meV
+ Omega( 3 )= 0.0623 eV Re[Pi]= -0.917443 meV Im[Pi]= 0.005067 meV
+ Omega( 4 )= 0.1318 eV Re[Pi]= -6.947274 meV Im[Pi]= 0.042669 meV
+ Omega( 5 )= 0.1328 eV Re[Pi]= -6.668880 meV Im[Pi]= 0.043266 meV
+ Omega( 6 )= 0.1402 eV Re[Pi]= -6.840957 meV Im[Pi]= 0.038352 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1336,7 +1424,7 @@
lambda___( 3 )= 0.104385 gamma___= 0.064167 meV omega= 59.3850 meV
lambda_tr( 3 )= 0.104385 gamma_tr= 0.064168 meV omega= 59.3850 meV
lambda___( 4 )= 0.945046 gamma___= 2.646295 meV omega= 126.7448 meV
- lambda_tr( 4 )= 0.945048 gamma_tr= 2.646300 meV omega= 126.7448 meV
+ lambda_tr( 4 )= 0.945048 gamma_tr= 2.646301 meV omega= 126.7448 meV
lambda___( 5 )= 0.965977 gamma___= 2.722953 meV omega= 127.1670 meV
lambda_tr( 5 )= 0.965978 gamma_tr= 2.722957 meV omega= 127.1670 meV
lambda___( 6 )= 0.261361 gamma___= 0.831536 meV omega= 135.1007 meV
@@ -1344,12 +1432,14 @@
lambda___( tot )= 2.667019
lambda_tr( tot )= 2.667024
- Omega( 1 )= 0.0336 eV Re[Pi]= 0.218868 meV Im[Pi]= 0.019992 meV
- Omega( 2 )= 0.0352 eV Re[Pi]= 0.209888 meV Im[Pi]= 0.019979 meV
- Omega( 3 )= 0.0594 eV Re[Pi]= 0.526621 meV Im[Pi]= -0.027101 meV
- Omega( 4 )= 0.1267 eV Re[Pi]= 9.253090 meV Im[Pi]= -0.603191 meV
- Omega( 5 )= 0.1272 eV Re[Pi]= 9.277917 meV Im[Pi]= -0.546157 meV
- Omega( 6 )= 0.1351 eV Re[Pi]= 6.053403 meV Im[Pi]= -0.362556 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0336 eV Re[Pi]= -0.218868 meV Im[Pi]= -0.019992 meV
+ Omega( 2 )= 0.0352 eV Re[Pi]= -0.209888 meV Im[Pi]= -0.019979 meV
+ Omega( 3 )= 0.0594 eV Re[Pi]= -0.526621 meV Im[Pi]= 0.027101 meV
+ Omega( 4 )= 0.1267 eV Re[Pi]= -9.253090 meV Im[Pi]= 0.603191 meV
+ Omega( 5 )= 0.1272 eV Re[Pi]= -9.277917 meV Im[Pi]= 0.546157 meV
+ Omega( 6 )= 0.1351 eV Re[Pi]= -6.053403 meV Im[Pi]= 0.362556 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1371,12 +1461,14 @@
lambda___( tot )= 0.617054
lambda_tr( tot )= 0.617054
- Omega( 1 )= 0.0527 eV Re[Pi]= 0.345873 meV Im[Pi]= 0.014215 meV
- Omega( 2 )= 0.0645 eV Re[Pi]= 0.055450 meV Im[Pi]= -0.000106 meV
- Omega( 3 )= 0.0869 eV Re[Pi]= 0.483248 meV Im[Pi]= -0.000418 meV
- Omega( 4 )= 0.1365 eV Re[Pi]= 5.968591 meV Im[Pi]= -0.179929 meV
- Omega( 5 )= 0.1403 eV Re[Pi]= 5.271981 meV Im[Pi]= -0.236873 meV
- Omega( 6 )= 0.1481 eV Re[Pi]= 2.346303 meV Im[Pi]= -0.000073 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0527 eV Re[Pi]= -0.345873 meV Im[Pi]= -0.014215 meV
+ Omega( 2 )= 0.0645 eV Re[Pi]= -0.055450 meV Im[Pi]= 0.000106 meV
+ Omega( 3 )= 0.0869 eV Re[Pi]= -0.483248 meV Im[Pi]= 0.000418 meV
+ Omega( 4 )= 0.1365 eV Re[Pi]= -5.968591 meV Im[Pi]= 0.179929 meV
+ Omega( 5 )= 0.1403 eV Re[Pi]= -5.271981 meV Im[Pi]= 0.236873 meV
+ Omega( 6 )= 0.1481 eV Re[Pi]= -2.346303 meV Im[Pi]= 0.000073 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1398,12 +1490,14 @@
lambda___( tot )= 0.000991
lambda_tr( tot )= 0.000991
- Omega( 1 )= 0.0736 eV Re[Pi]= 0.213448 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0861 eV Re[Pi]= 0.106407 meV Im[Pi]= 0.000001 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.390535 meV Im[Pi]= -0.000001 meV
- Omega( 4 )= 0.1410 eV Re[Pi]= 2.999292 meV Im[Pi]= -0.000030 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 2.436835 meV Im[Pi]= -0.000060 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.350443 meV Im[Pi]= -0.000012 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0736 eV Re[Pi]= -0.213448 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0861 eV Re[Pi]= -0.106407 meV Im[Pi]= -0.000001 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.390535 meV Im[Pi]= 0.000001 meV
+ Omega( 4 )= 0.1410 eV Re[Pi]= -2.999292 meV Im[Pi]= 0.000030 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -2.436835 meV Im[Pi]= 0.000060 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.350443 meV Im[Pi]= 0.000012 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1425,12 +1519,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0797 eV Re[Pi]= 0.080940 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0877 eV Re[Pi]= 0.192633 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1267 eV Re[Pi]= 0.402099 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1409 eV Re[Pi]= 2.382202 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1465 eV Re[Pi]= 2.030810 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.206145 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0797 eV Re[Pi]= -0.080940 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0877 eV Re[Pi]= -0.192633 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1267 eV Re[Pi]= -0.402099 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1409 eV Re[Pi]= -2.382202 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1465 eV Re[Pi]= -2.030810 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.206145 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1452,12 +1548,14 @@
lambda___( tot )= 0.001298
lambda_tr( tot )= 0.001298
- Omega( 1 )= 0.0661 eV Re[Pi]= 0.077123 meV Im[Pi]= 0.000003 meV
- Omega( 2 )= 0.0682 eV Re[Pi]= 0.240713 meV Im[Pi]= -0.000006 meV
- Omega( 3 )= 0.1003 eV Re[Pi]= 0.542956 meV Im[Pi]= -0.000010 meV
- Omega( 4 )= 0.1407 eV Re[Pi]= 3.380786 meV Im[Pi]= -0.000044 meV
- Omega( 5 )= 0.1429 eV Re[Pi]= 3.456785 meV Im[Pi]= -0.000217 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 2.142352 meV Im[Pi]= -0.000021 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0661 eV Re[Pi]= -0.077123 meV Im[Pi]= -0.000003 meV
+ Omega( 2 )= 0.0682 eV Re[Pi]= -0.240713 meV Im[Pi]= 0.000006 meV
+ Omega( 3 )= 0.1003 eV Re[Pi]= -0.542956 meV Im[Pi]= 0.000010 meV
+ Omega( 4 )= 0.1407 eV Re[Pi]= -3.380786 meV Im[Pi]= 0.000044 meV
+ Omega( 5 )= 0.1429 eV Re[Pi]= -3.456785 meV Im[Pi]= 0.000217 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -2.142352 meV Im[Pi]= 0.000021 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1479,12 +1577,14 @@
lambda___( tot )= 0.001298
lambda_tr( tot )= 0.001298
- Omega( 1 )= 0.0653 eV Re[Pi]= 0.047234 meV Im[Pi]= 0.000002 meV
- Omega( 2 )= 0.0693 eV Re[Pi]= 0.234799 meV Im[Pi]= -0.000001 meV
- Omega( 3 )= 0.1010 eV Re[Pi]= 0.521784 meV Im[Pi]= -0.000017 meV
- Omega( 4 )= 0.1411 eV Re[Pi]= 3.382070 meV Im[Pi]= -0.000040 meV
- Omega( 5 )= 0.1423 eV Re[Pi]= 3.457449 meV Im[Pi]= -0.000213 meV
- Omega( 6 )= 0.1545 eV Re[Pi]= 2.155110 meV Im[Pi]= -0.000021 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0653 eV Re[Pi]= -0.047234 meV Im[Pi]= -0.000002 meV
+ Omega( 2 )= 0.0693 eV Re[Pi]= -0.234799 meV Im[Pi]= 0.000001 meV
+ Omega( 3 )= 0.1010 eV Re[Pi]= -0.521784 meV Im[Pi]= 0.000017 meV
+ Omega( 4 )= 0.1411 eV Re[Pi]= -3.382070 meV Im[Pi]= 0.000040 meV
+ Omega( 5 )= 0.1423 eV Re[Pi]= -3.457449 meV Im[Pi]= 0.000213 meV
+ Omega( 6 )= 0.1545 eV Re[Pi]= -2.155110 meV Im[Pi]= 0.000021 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1506,12 +1606,14 @@
lambda___( tot )= 0.597829
lambda_tr( tot )= 0.597829
- Omega( 1 )= 0.0486 eV Re[Pi]= 0.503578 meV Im[Pi]= 0.005502 meV
- Omega( 2 )= 0.0621 eV Re[Pi]= 0.117422 meV Im[Pi]= -0.006175 meV
- Omega( 3 )= 0.0863 eV Re[Pi]= 0.500002 meV Im[Pi]= -0.003932 meV
- Omega( 4 )= 0.1381 eV Re[Pi]= 5.691306 meV Im[Pi]= -0.139061 meV
- Omega( 5 )= 0.1410 eV Re[Pi]= 5.022521 meV Im[Pi]= -0.203345 meV
- Omega( 6 )= 0.1487 eV Re[Pi]= 2.308342 meV Im[Pi]= 0.000728 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0486 eV Re[Pi]= -0.503578 meV Im[Pi]= -0.005502 meV
+ Omega( 2 )= 0.0621 eV Re[Pi]= -0.117422 meV Im[Pi]= 0.006175 meV
+ Omega( 3 )= 0.0863 eV Re[Pi]= -0.500002 meV Im[Pi]= 0.003932 meV
+ Omega( 4 )= 0.1381 eV Re[Pi]= -5.691306 meV Im[Pi]= 0.139061 meV
+ Omega( 5 )= 0.1410 eV Re[Pi]= -5.022521 meV Im[Pi]= 0.203345 meV
+ Omega( 6 )= 0.1487 eV Re[Pi]= -2.308342 meV Im[Pi]= -0.000728 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1533,12 +1635,14 @@
lambda___( tot )= 0.001298
lambda_tr( tot )= 0.001298
- Omega( 1 )= 0.0661 eV Re[Pi]= 0.077124 meV Im[Pi]= 0.000003 meV
- Omega( 2 )= 0.0682 eV Re[Pi]= 0.240714 meV Im[Pi]= -0.000006 meV
- Omega( 3 )= 0.1003 eV Re[Pi]= 0.542955 meV Im[Pi]= -0.000010 meV
- Omega( 4 )= 0.1407 eV Re[Pi]= 3.380786 meV Im[Pi]= -0.000044 meV
- Omega( 5 )= 0.1429 eV Re[Pi]= 3.456782 meV Im[Pi]= -0.000217 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 2.142353 meV Im[Pi]= -0.000021 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0661 eV Re[Pi]= -0.077124 meV Im[Pi]= -0.000003 meV
+ Omega( 2 )= 0.0682 eV Re[Pi]= -0.240714 meV Im[Pi]= 0.000006 meV
+ Omega( 3 )= 0.1003 eV Re[Pi]= -0.542955 meV Im[Pi]= 0.000010 meV
+ Omega( 4 )= 0.1407 eV Re[Pi]= -3.380786 meV Im[Pi]= 0.000044 meV
+ Omega( 5 )= 0.1429 eV Re[Pi]= -3.456782 meV Im[Pi]= 0.000217 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -2.142353 meV Im[Pi]= 0.000021 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1560,12 +1664,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0831 eV Re[Pi]= 0.183743 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0959 eV Re[Pi]= 0.115244 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1161 eV Re[Pi]= 0.467966 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1412 eV Re[Pi]= 1.608992 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1489 eV Re[Pi]= 1.854541 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1555 eV Re[Pi]= 1.230508 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0831 eV Re[Pi]= -0.183743 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0959 eV Re[Pi]= -0.115244 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1161 eV Re[Pi]= -0.467966 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1412 eV Re[Pi]= -1.608992 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1489 eV Re[Pi]= -1.854541 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1555 eV Re[Pi]= -1.230508 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1587,12 +1693,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0941 eV Re[Pi]= 0.153546 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1114 eV Re[Pi]= 0.282547 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1281 eV Re[Pi]= 0.345943 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1344 eV Re[Pi]= 0.745503 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1463 eV Re[Pi]= 1.158165 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1509 eV Re[Pi]= 1.488380 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0941 eV Re[Pi]= -0.153546 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1114 eV Re[Pi]= -0.282547 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1281 eV Re[Pi]= -0.345943 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1344 eV Re[Pi]= -0.745503 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1463 eV Re[Pi]= -1.158165 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1509 eV Re[Pi]= -1.488380 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1614,12 +1722,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0852 eV Re[Pi]= 0.180323 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0981 eV Re[Pi]= 0.113230 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.496933 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1398 eV Re[Pi]= 1.607578 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1478 eV Re[Pi]= 1.845526 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1535 eV Re[Pi]= 1.215293 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0852 eV Re[Pi]= -0.180323 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0981 eV Re[Pi]= -0.113230 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.496933 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1398 eV Re[Pi]= -1.607578 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1478 eV Re[Pi]= -1.845526 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1535 eV Re[Pi]= -1.215293 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1641,12 +1751,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0831 eV Re[Pi]= 0.071479 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0916 eV Re[Pi]= 0.191295 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1283 eV Re[Pi]= 0.481238 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1390 eV Re[Pi]= 2.363553 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1455 eV Re[Pi]= 2.063514 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1507 eV Re[Pi]= 1.103290 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0831 eV Re[Pi]= -0.071479 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0916 eV Re[Pi]= -0.191295 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1283 eV Re[Pi]= -0.481238 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1390 eV Re[Pi]= -2.363553 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1455 eV Re[Pi]= -2.063514 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1507 eV Re[Pi]= -1.103290 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1668,12 +1780,14 @@
lambda___( tot )= 0.000992
lambda_tr( tot )= 0.000992
- Omega( 1 )= 0.0762 eV Re[Pi]= 0.215287 meV Im[Pi]= 0.000001 meV
- Omega( 2 )= 0.0888 eV Re[Pi]= 0.103412 meV Im[Pi]= 0.000001 meV
- Omega( 3 )= 0.1199 eV Re[Pi]= 0.436471 meV Im[Pi]= -0.000002 meV
- Omega( 4 )= 0.1397 eV Re[Pi]= 2.998940 meV Im[Pi]= -0.000038 meV
- Omega( 5 )= 0.1451 eV Re[Pi]= 2.325489 meV Im[Pi]= -0.000048 meV
- Omega( 6 )= 0.1521 eV Re[Pi]= 1.452731 meV Im[Pi]= -0.000024 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0762 eV Re[Pi]= -0.215287 meV Im[Pi]= -0.000001 meV
+ Omega( 2 )= 0.0888 eV Re[Pi]= -0.103412 meV Im[Pi]= -0.000001 meV
+ Omega( 3 )= 0.1199 eV Re[Pi]= -0.436471 meV Im[Pi]= 0.000002 meV
+ Omega( 4 )= 0.1397 eV Re[Pi]= -2.998940 meV Im[Pi]= 0.000038 meV
+ Omega( 5 )= 0.1451 eV Re[Pi]= -2.325489 meV Im[Pi]= 0.000048 meV
+ Omega( 6 )= 0.1521 eV Re[Pi]= -1.452731 meV Im[Pi]= 0.000024 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1695,12 +1809,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0852 eV Re[Pi]= 0.180324 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0981 eV Re[Pi]= 0.113231 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.496933 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1398 eV Re[Pi]= 1.607578 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1478 eV Re[Pi]= 1.845526 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1535 eV Re[Pi]= 1.215293 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0852 eV Re[Pi]= -0.180324 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0981 eV Re[Pi]= -0.113231 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.496933 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1398 eV Re[Pi]= -1.607578 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1478 eV Re[Pi]= -1.845526 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1535 eV Re[Pi]= -1.215293 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1722,12 +1838,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0961 eV Re[Pi]= 0.096999 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1073 eV Re[Pi]= 0.165004 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1304 eV Re[Pi]= 0.551014 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1403 eV Re[Pi]= 1.260003 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1432 eV Re[Pi]= 0.857727 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1586 eV Re[Pi]= 1.188401 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0961 eV Re[Pi]= -0.096999 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1073 eV Re[Pi]= -0.165004 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1304 eV Re[Pi]= -0.551014 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1403 eV Re[Pi]= -1.260003 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1432 eV Re[Pi]= -0.857727 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1586 eV Re[Pi]= -1.188401 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1749,12 +1867,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.1113 eV Re[Pi]= 0.174102 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.1118 eV Re[Pi]= 0.152942 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1316 eV Re[Pi]= 0.589243 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1321 eV Re[Pi]= 0.644878 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1480 eV Re[Pi]= 0.943566 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1500 eV Re[Pi]= 0.967085 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.1113 eV Re[Pi]= -0.174102 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.1118 eV Re[Pi]= -0.152942 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1316 eV Re[Pi]= -0.589243 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1321 eV Re[Pi]= -0.644878 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1480 eV Re[Pi]= -0.943566 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1500 eV Re[Pi]= -0.967085 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1776,12 +1896,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0954 eV Re[Pi]= 0.149373 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1124 eV Re[Pi]= 0.284991 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1290 eV Re[Pi]= 0.351829 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1334 eV Re[Pi]= 0.737996 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1453 eV Re[Pi]= 1.182927 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1504 eV Re[Pi]= 1.478508 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0954 eV Re[Pi]= -0.149373 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1124 eV Re[Pi]= -0.284991 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1290 eV Re[Pi]= -0.351829 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1334 eV Re[Pi]= -0.737996 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1453 eV Re[Pi]= -1.182927 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1504 eV Re[Pi]= -1.478508 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1803,12 +1925,14 @@
lambda___( tot )= 0.000992
lambda_tr( tot )= 0.000992
- Omega( 1 )= 0.0762 eV Re[Pi]= 0.215286 meV Im[Pi]= 0.000001 meV
- Omega( 2 )= 0.0888 eV Re[Pi]= 0.103410 meV Im[Pi]= 0.000001 meV
- Omega( 3 )= 0.1199 eV Re[Pi]= 0.436467 meV Im[Pi]= -0.000002 meV
- Omega( 4 )= 0.1397 eV Re[Pi]= 2.998920 meV Im[Pi]= -0.000038 meV
- Omega( 5 )= 0.1451 eV Re[Pi]= 2.325501 meV Im[Pi]= -0.000048 meV
- Omega( 6 )= 0.1521 eV Re[Pi]= 1.452741 meV Im[Pi]= -0.000024 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0762 eV Re[Pi]= -0.215286 meV Im[Pi]= -0.000001 meV
+ Omega( 2 )= 0.0888 eV Re[Pi]= -0.103410 meV Im[Pi]= -0.000001 meV
+ Omega( 3 )= 0.1199 eV Re[Pi]= -0.436467 meV Im[Pi]= 0.000002 meV
+ Omega( 4 )= 0.1397 eV Re[Pi]= -2.998920 meV Im[Pi]= 0.000038 meV
+ Omega( 5 )= 0.1451 eV Re[Pi]= -2.325501 meV Im[Pi]= 0.000048 meV
+ Omega( 6 )= 0.1521 eV Re[Pi]= -1.452741 meV Im[Pi]= 0.000024 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1830,12 +1954,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0831 eV Re[Pi]= 0.071480 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0916 eV Re[Pi]= 0.191291 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1283 eV Re[Pi]= 0.481238 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1390 eV Re[Pi]= 2.363581 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1455 eV Re[Pi]= 2.063487 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1507 eV Re[Pi]= 1.103281 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0831 eV Re[Pi]= -0.071480 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0916 eV Re[Pi]= -0.191291 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1283 eV Re[Pi]= -0.481238 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1390 eV Re[Pi]= -2.363581 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1455 eV Re[Pi]= -2.063487 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1507 eV Re[Pi]= -1.103281 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1857,12 +1983,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0954 eV Re[Pi]= 0.149373 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1124 eV Re[Pi]= 0.284991 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1290 eV Re[Pi]= 0.351829 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1334 eV Re[Pi]= 0.737997 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1453 eV Re[Pi]= 1.182927 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1504 eV Re[Pi]= 1.478509 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0954 eV Re[Pi]= -0.149373 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1124 eV Re[Pi]= -0.284991 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1290 eV Re[Pi]= -0.351829 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1334 eV Re[Pi]= -0.737997 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1453 eV Re[Pi]= -1.182927 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1504 eV Re[Pi]= -1.478509 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1884,12 +2012,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.1113 eV Re[Pi]= 0.174103 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.1118 eV Re[Pi]= 0.152944 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1316 eV Re[Pi]= 0.589246 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1321 eV Re[Pi]= 0.644879 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1480 eV Re[Pi]= 0.943565 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1500 eV Re[Pi]= 0.967084 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.1113 eV Re[Pi]= -0.174103 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.1118 eV Re[Pi]= -0.152944 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1316 eV Re[Pi]= -0.589246 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1321 eV Re[Pi]= -0.644879 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1480 eV Re[Pi]= -0.943565 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1500 eV Re[Pi]= -0.967084 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1911,12 +2041,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0961 eV Re[Pi]= 0.096998 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1073 eV Re[Pi]= 0.165004 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1304 eV Re[Pi]= 0.551010 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1403 eV Re[Pi]= 1.259995 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1432 eV Re[Pi]= 0.857731 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1586 eV Re[Pi]= 1.188403 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0961 eV Re[Pi]= -0.096998 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1073 eV Re[Pi]= -0.165004 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1304 eV Re[Pi]= -0.551010 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1403 eV Re[Pi]= -1.259995 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1432 eV Re[Pi]= -0.857731 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1586 eV Re[Pi]= -1.188403 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1938,12 +2070,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0852 eV Re[Pi]= 0.180322 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0981 eV Re[Pi]= 0.113230 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.496927 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1398 eV Re[Pi]= 1.607573 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1478 eV Re[Pi]= 1.845520 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1535 eV Re[Pi]= 1.215293 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0852 eV Re[Pi]= -0.180322 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0981 eV Re[Pi]= -0.113230 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.496927 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1398 eV Re[Pi]= -1.607573 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1478 eV Re[Pi]= -1.845520 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1535 eV Re[Pi]= -1.215293 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1965,12 +2099,14 @@
lambda___( tot )= 0.597826
lambda_tr( tot )= 0.597827
- Omega( 1 )= 0.0486 eV Re[Pi]= 0.503579 meV Im[Pi]= 0.005502 meV
- Omega( 2 )= 0.0621 eV Re[Pi]= 0.117427 meV Im[Pi]= -0.006175 meV
- Omega( 3 )= 0.0863 eV Re[Pi]= 0.500007 meV Im[Pi]= -0.003932 meV
- Omega( 4 )= 0.1381 eV Re[Pi]= 5.691304 meV Im[Pi]= -0.139060 meV
- Omega( 5 )= 0.1410 eV Re[Pi]= 5.022503 meV Im[Pi]= -0.203345 meV
- Omega( 6 )= 0.1487 eV Re[Pi]= 2.308344 meV Im[Pi]= 0.000727 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0486 eV Re[Pi]= -0.503579 meV Im[Pi]= -0.005502 meV
+ Omega( 2 )= 0.0621 eV Re[Pi]= -0.117427 meV Im[Pi]= 0.006175 meV
+ Omega( 3 )= 0.0863 eV Re[Pi]= -0.500007 meV Im[Pi]= 0.003932 meV
+ Omega( 4 )= 0.1381 eV Re[Pi]= -5.691304 meV Im[Pi]= 0.139060 meV
+ Omega( 5 )= 0.1410 eV Re[Pi]= -5.022503 meV Im[Pi]= 0.203345 meV
+ Omega( 6 )= 0.1487 eV Re[Pi]= -2.308344 meV Im[Pi]= -0.000727 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -1992,12 +2128,14 @@
lambda___( tot )= 0.001298
lambda_tr( tot )= 0.001298
- Omega( 1 )= 0.0653 eV Re[Pi]= 0.047234 meV Im[Pi]= 0.000002 meV
- Omega( 2 )= 0.0693 eV Re[Pi]= 0.234799 meV Im[Pi]= -0.000001 meV
- Omega( 3 )= 0.1010 eV Re[Pi]= 0.521779 meV Im[Pi]= -0.000017 meV
- Omega( 4 )= 0.1411 eV Re[Pi]= 3.382078 meV Im[Pi]= -0.000040 meV
- Omega( 5 )= 0.1423 eV Re[Pi]= 3.457433 meV Im[Pi]= -0.000213 meV
- Omega( 6 )= 0.1545 eV Re[Pi]= 2.155114 meV Im[Pi]= -0.000021 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0653 eV Re[Pi]= -0.047234 meV Im[Pi]= -0.000002 meV
+ Omega( 2 )= 0.0693 eV Re[Pi]= -0.234799 meV Im[Pi]= 0.000001 meV
+ Omega( 3 )= 0.1010 eV Re[Pi]= -0.521779 meV Im[Pi]= 0.000017 meV
+ Omega( 4 )= 0.1411 eV Re[Pi]= -3.382078 meV Im[Pi]= 0.000040 meV
+ Omega( 5 )= 0.1423 eV Re[Pi]= -3.457433 meV Im[Pi]= 0.000213 meV
+ Omega( 6 )= 0.1545 eV Re[Pi]= -2.155114 meV Im[Pi]= 0.000021 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2019,12 +2157,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0852 eV Re[Pi]= 0.180322 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0981 eV Re[Pi]= 0.113230 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.496928 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1398 eV Re[Pi]= 1.607574 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1478 eV Re[Pi]= 1.845520 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1535 eV Re[Pi]= 1.215293 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0852 eV Re[Pi]= -0.180322 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0981 eV Re[Pi]= -0.113230 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.496928 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1398 eV Re[Pi]= -1.607574 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1478 eV Re[Pi]= -1.845520 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1535 eV Re[Pi]= -1.215293 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2046,12 +2186,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0941 eV Re[Pi]= 0.153546 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1114 eV Re[Pi]= 0.282546 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1281 eV Re[Pi]= 0.345943 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1344 eV Re[Pi]= 0.745500 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1463 eV Re[Pi]= 1.158167 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1509 eV Re[Pi]= 1.488380 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0941 eV Re[Pi]= -0.153546 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1114 eV Re[Pi]= -0.282546 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1281 eV Re[Pi]= -0.345943 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1344 eV Re[Pi]= -0.745500 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1463 eV Re[Pi]= -1.158167 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1509 eV Re[Pi]= -1.488380 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2073,12 +2215,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0831 eV Re[Pi]= 0.183742 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0959 eV Re[Pi]= 0.115246 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1161 eV Re[Pi]= 0.467965 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1412 eV Re[Pi]= 1.608991 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1489 eV Re[Pi]= 1.854555 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1555 eV Re[Pi]= 1.230504 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0831 eV Re[Pi]= -0.183742 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0959 eV Re[Pi]= -0.115246 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1161 eV Re[Pi]= -0.467965 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1412 eV Re[Pi]= -1.608991 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1489 eV Re[Pi]= -1.854555 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1555 eV Re[Pi]= -1.230504 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2100,12 +2244,14 @@
lambda___( tot )= 0.001298
lambda_tr( tot )= 0.001298
- Omega( 1 )= 0.0661 eV Re[Pi]= 0.077123 meV Im[Pi]= 0.000003 meV
- Omega( 2 )= 0.0682 eV Re[Pi]= 0.240714 meV Im[Pi]= -0.000006 meV
- Omega( 3 )= 0.1003 eV Re[Pi]= 0.542962 meV Im[Pi]= -0.000010 meV
- Omega( 4 )= 0.1407 eV Re[Pi]= 3.380779 meV Im[Pi]= -0.000044 meV
- Omega( 5 )= 0.1429 eV Re[Pi]= 3.456799 meV Im[Pi]= -0.000217 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 2.142351 meV Im[Pi]= -0.000021 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0661 eV Re[Pi]= -0.077123 meV Im[Pi]= -0.000003 meV
+ Omega( 2 )= 0.0682 eV Re[Pi]= -0.240714 meV Im[Pi]= 0.000006 meV
+ Omega( 3 )= 0.1003 eV Re[Pi]= -0.542962 meV Im[Pi]= 0.000010 meV
+ Omega( 4 )= 0.1407 eV Re[Pi]= -3.380779 meV Im[Pi]= 0.000044 meV
+ Omega( 5 )= 0.1429 eV Re[Pi]= -3.456799 meV Im[Pi]= 0.000217 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -2.142351 meV Im[Pi]= 0.000021 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2127,12 +2273,14 @@
lambda___( tot )= 0.037636
lambda_tr( tot )= 0.037636
- Omega( 1 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1097 eV Re[Pi]= 0.410091 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1390 eV Re[Pi]= 5.117548 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1390 eV Re[Pi]= 5.117547 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1551 eV Re[Pi]= 1.966323 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0616 eV Re[Pi]= -0.096342 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0616 eV Re[Pi]= -0.096342 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1097 eV Re[Pi]= -0.410091 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1390 eV Re[Pi]= -5.117548 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1390 eV Re[Pi]= -5.117547 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1551 eV Re[Pi]= -1.966323 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2154,12 +2302,14 @@
lambda___( tot )= 0.001298
lambda_tr( tot )= 0.001298
- Omega( 1 )= 0.0661 eV Re[Pi]= 0.077123 meV Im[Pi]= 0.000003 meV
- Omega( 2 )= 0.0682 eV Re[Pi]= 0.240714 meV Im[Pi]= -0.000006 meV
- Omega( 3 )= 0.1003 eV Re[Pi]= 0.542963 meV Im[Pi]= -0.000010 meV
- Omega( 4 )= 0.1407 eV Re[Pi]= 3.380780 meV Im[Pi]= -0.000044 meV
- Omega( 5 )= 0.1429 eV Re[Pi]= 3.456798 meV Im[Pi]= -0.000217 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 2.142352 meV Im[Pi]= -0.000021 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0661 eV Re[Pi]= -0.077123 meV Im[Pi]= -0.000003 meV
+ Omega( 2 )= 0.0682 eV Re[Pi]= -0.240714 meV Im[Pi]= 0.000006 meV
+ Omega( 3 )= 0.1003 eV Re[Pi]= -0.542963 meV Im[Pi]= 0.000010 meV
+ Omega( 4 )= 0.1407 eV Re[Pi]= -3.380780 meV Im[Pi]= 0.000044 meV
+ Omega( 5 )= 0.1429 eV Re[Pi]= -3.456798 meV Im[Pi]= 0.000217 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -2.142352 meV Im[Pi]= 0.000021 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2181,12 +2331,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0836 eV Re[Pi]= 0.080148 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1182 eV Re[Pi]= 0.679991 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1437 eV Re[Pi]= 1.677079 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1437 eV Re[Pi]= 1.677078 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1633 eV Re[Pi]= 1.707673 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0836 eV Re[Pi]= -0.080148 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0836 eV Re[Pi]= -0.080149 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1182 eV Re[Pi]= -0.679991 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1437 eV Re[Pi]= -1.677079 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1437 eV Re[Pi]= -1.677078 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1633 eV Re[Pi]= -1.707673 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2208,12 +2360,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0961 eV Re[Pi]= 0.096998 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1073 eV Re[Pi]= 0.165004 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1304 eV Re[Pi]= 0.551014 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1403 eV Re[Pi]= 1.259995 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1432 eV Re[Pi]= 0.857729 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1586 eV Re[Pi]= 1.188403 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0961 eV Re[Pi]= -0.096998 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1073 eV Re[Pi]= -0.165004 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1304 eV Re[Pi]= -0.551014 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1403 eV Re[Pi]= -1.259995 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1432 eV Re[Pi]= -0.857729 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1586 eV Re[Pi]= -1.188403 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2235,12 +2389,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.1225 eV Re[Pi]= 0.416338 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1230 eV Re[Pi]= 0.226653 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1393 eV Re[Pi]= 1.569365 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0907 eV Re[Pi]= -0.185489 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.1225 eV Re[Pi]= -0.416338 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1230 eV Re[Pi]= -0.226653 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1348 eV Re[Pi]= -0.306946 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1393 eV Re[Pi]= -1.569365 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -1.763995 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2262,12 +2418,14 @@
lambda___( tot )= 0.000991
lambda_tr( tot )= 0.000991
- Omega( 1 )= 0.0736 eV Re[Pi]= 0.213448 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0861 eV Re[Pi]= 0.106406 meV Im[Pi]= 0.000001 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.390536 meV Im[Pi]= -0.000001 meV
- Omega( 4 )= 0.1410 eV Re[Pi]= 2.999293 meV Im[Pi]= -0.000030 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 2.436834 meV Im[Pi]= -0.000060 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.350443 meV Im[Pi]= -0.000012 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0736 eV Re[Pi]= -0.213448 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0861 eV Re[Pi]= -0.106406 meV Im[Pi]= -0.000001 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.390536 meV Im[Pi]= 0.000001 meV
+ Omega( 4 )= 0.1410 eV Re[Pi]= -2.999293 meV Im[Pi]= 0.000030 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -2.436834 meV Im[Pi]= 0.000060 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.350443 meV Im[Pi]= 0.000012 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2289,12 +2447,14 @@
lambda___( tot )= 0.001305
lambda_tr( tot )= 0.001305
- Omega( 1 )= 0.0647 eV Re[Pi]= 0.053468 meV Im[Pi]= -0.000005 meV
- Omega( 2 )= 0.0676 eV Re[Pi]= 0.221857 meV Im[Pi]= -0.000002 meV
- Omega( 3 )= 0.1000 eV Re[Pi]= 0.475707 meV Im[Pi]= -0.000003 meV
- Omega( 4 )= 0.1413 eV Re[Pi]= 3.296630 meV Im[Pi]= -0.000095 meV
- Omega( 5 )= 0.1433 eV Re[Pi]= 3.530936 meV Im[Pi]= -0.000219 meV
- Omega( 6 )= 0.1550 eV Re[Pi]= 2.181709 meV Im[Pi]= -0.000041 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0647 eV Re[Pi]= -0.053468 meV Im[Pi]= 0.000005 meV
+ Omega( 2 )= 0.0676 eV Re[Pi]= -0.221857 meV Im[Pi]= 0.000002 meV
+ Omega( 3 )= 0.1000 eV Re[Pi]= -0.475707 meV Im[Pi]= 0.000003 meV
+ Omega( 4 )= 0.1413 eV Re[Pi]= -3.296630 meV Im[Pi]= 0.000095 meV
+ Omega( 5 )= 0.1433 eV Re[Pi]= -3.530936 meV Im[Pi]= 0.000219 meV
+ Omega( 6 )= 0.1550 eV Re[Pi]= -2.181709 meV Im[Pi]= 0.000041 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2316,12 +2476,14 @@
lambda___( tot )= 0.617055
lambda_tr( tot )= 0.617056
- Omega( 1 )= 0.0527 eV Re[Pi]= 0.345873 meV Im[Pi]= 0.014215 meV
- Omega( 2 )= 0.0645 eV Re[Pi]= 0.055450 meV Im[Pi]= -0.000106 meV
- Omega( 3 )= 0.0869 eV Re[Pi]= 0.483248 meV Im[Pi]= -0.000418 meV
- Omega( 4 )= 0.1365 eV Re[Pi]= 5.968592 meV Im[Pi]= -0.179929 meV
- Omega( 5 )= 0.1403 eV Re[Pi]= 5.271979 meV Im[Pi]= -0.236873 meV
- Omega( 6 )= 0.1481 eV Re[Pi]= 2.346303 meV Im[Pi]= -0.000073 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0527 eV Re[Pi]= -0.345873 meV Im[Pi]= -0.014215 meV
+ Omega( 2 )= 0.0645 eV Re[Pi]= -0.055450 meV Im[Pi]= 0.000106 meV
+ Omega( 3 )= 0.0869 eV Re[Pi]= -0.483248 meV Im[Pi]= 0.000418 meV
+ Omega( 4 )= 0.1365 eV Re[Pi]= -5.968592 meV Im[Pi]= 0.179929 meV
+ Omega( 5 )= 0.1403 eV Re[Pi]= -5.271979 meV Im[Pi]= 0.236873 meV
+ Omega( 6 )= 0.1481 eV Re[Pi]= -2.346303 meV Im[Pi]= 0.000073 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2343,12 +2505,14 @@
lambda___( tot )= 0.001305
lambda_tr( tot )= 0.001305
- Omega( 1 )= 0.0647 eV Re[Pi]= 0.053468 meV Im[Pi]= -0.000005 meV
- Omega( 2 )= 0.0676 eV Re[Pi]= 0.221856 meV Im[Pi]= -0.000002 meV
- Omega( 3 )= 0.1000 eV Re[Pi]= 0.475715 meV Im[Pi]= -0.000003 meV
- Omega( 4 )= 0.1413 eV Re[Pi]= 3.296640 meV Im[Pi]= -0.000095 meV
- Omega( 5 )= 0.1433 eV Re[Pi]= 3.530932 meV Im[Pi]= -0.000219 meV
- Omega( 6 )= 0.1550 eV Re[Pi]= 2.181719 meV Im[Pi]= -0.000041 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0647 eV Re[Pi]= -0.053468 meV Im[Pi]= 0.000005 meV
+ Omega( 2 )= 0.0676 eV Re[Pi]= -0.221856 meV Im[Pi]= 0.000002 meV
+ Omega( 3 )= 0.1000 eV Re[Pi]= -0.475715 meV Im[Pi]= 0.000003 meV
+ Omega( 4 )= 0.1413 eV Re[Pi]= -3.296640 meV Im[Pi]= 0.000095 meV
+ Omega( 5 )= 0.1433 eV Re[Pi]= -3.530932 meV Im[Pi]= 0.000219 meV
+ Omega( 6 )= 0.1550 eV Re[Pi]= -2.181719 meV Im[Pi]= 0.000041 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2370,12 +2534,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0831 eV Re[Pi]= 0.183742 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0959 eV Re[Pi]= 0.115246 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1161 eV Re[Pi]= 0.467966 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1412 eV Re[Pi]= 1.608991 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1489 eV Re[Pi]= 1.854555 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1555 eV Re[Pi]= 1.230504 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0831 eV Re[Pi]= -0.183742 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0959 eV Re[Pi]= -0.115246 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1161 eV Re[Pi]= -0.467966 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1412 eV Re[Pi]= -1.608991 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1489 eV Re[Pi]= -1.854555 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1555 eV Re[Pi]= -1.230504 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2397,12 +2563,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0943 eV Re[Pi]= 0.152062 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1108 eV Re[Pi]= 0.260191 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1294 eV Re[Pi]= 0.371781 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1336 eV Re[Pi]= 0.725058 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 1.251525 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1505 eV Re[Pi]= 1.436395 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0943 eV Re[Pi]= -0.152062 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1108 eV Re[Pi]= -0.260191 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1294 eV Re[Pi]= -0.371781 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1336 eV Re[Pi]= -0.725058 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -1.251525 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1505 eV Re[Pi]= -1.436395 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2424,12 +2592,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0831 eV Re[Pi]= 0.183743 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0959 eV Re[Pi]= 0.115244 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1161 eV Re[Pi]= 0.467966 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1412 eV Re[Pi]= 1.608992 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1489 eV Re[Pi]= 1.854541 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1555 eV Re[Pi]= 1.230508 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0831 eV Re[Pi]= -0.183743 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0959 eV Re[Pi]= -0.115244 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1161 eV Re[Pi]= -0.467966 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1412 eV Re[Pi]= -1.608992 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1489 eV Re[Pi]= -1.854541 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1555 eV Re[Pi]= -1.230508 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2451,12 +2621,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0836 eV Re[Pi]= 0.080148 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1182 eV Re[Pi]= 0.679991 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1437 eV Re[Pi]= 1.677079 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1437 eV Re[Pi]= 1.677078 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1633 eV Re[Pi]= 1.707673 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0836 eV Re[Pi]= -0.080148 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0836 eV Re[Pi]= -0.080149 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1182 eV Re[Pi]= -0.679991 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1437 eV Re[Pi]= -1.677079 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1437 eV Re[Pi]= -1.677078 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1633 eV Re[Pi]= -1.707673 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2478,12 +2650,14 @@
lambda___( tot )= 0.001298
lambda_tr( tot )= 0.001298
- Omega( 1 )= 0.0661 eV Re[Pi]= 0.077123 meV Im[Pi]= 0.000003 meV
- Omega( 2 )= 0.0682 eV Re[Pi]= 0.240714 meV Im[Pi]= -0.000006 meV
- Omega( 3 )= 0.1003 eV Re[Pi]= 0.542956 meV Im[Pi]= -0.000010 meV
- Omega( 4 )= 0.1407 eV Re[Pi]= 3.380786 meV Im[Pi]= -0.000044 meV
- Omega( 5 )= 0.1429 eV Re[Pi]= 3.456783 meV Im[Pi]= -0.000217 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 2.142352 meV Im[Pi]= -0.000021 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0661 eV Re[Pi]= -0.077123 meV Im[Pi]= -0.000003 meV
+ Omega( 2 )= 0.0682 eV Re[Pi]= -0.240714 meV Im[Pi]= 0.000006 meV
+ Omega( 3 )= 0.1003 eV Re[Pi]= -0.542956 meV Im[Pi]= 0.000010 meV
+ Omega( 4 )= 0.1407 eV Re[Pi]= -3.380786 meV Im[Pi]= 0.000044 meV
+ Omega( 5 )= 0.1429 eV Re[Pi]= -3.456783 meV Im[Pi]= 0.000217 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -2.142352 meV Im[Pi]= 0.000021 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2505,12 +2679,14 @@
lambda___( tot )= 0.037636
lambda_tr( tot )= 0.037636
- Omega( 1 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1097 eV Re[Pi]= 0.410091 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1390 eV Re[Pi]= 5.117547 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1390 eV Re[Pi]= 5.117547 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1551 eV Re[Pi]= 1.966323 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0616 eV Re[Pi]= -0.096342 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0616 eV Re[Pi]= -0.096342 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1097 eV Re[Pi]= -0.410091 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1390 eV Re[Pi]= -5.117547 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1390 eV Re[Pi]= -5.117547 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1551 eV Re[Pi]= -1.966323 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2532,12 +2708,14 @@
lambda___( tot )= 0.000991
lambda_tr( tot )= 0.000991
- Omega( 1 )= 0.0736 eV Re[Pi]= 0.213449 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0861 eV Re[Pi]= 0.106405 meV Im[Pi]= 0.000001 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.390537 meV Im[Pi]= -0.000001 meV
- Omega( 4 )= 0.1410 eV Re[Pi]= 2.999271 meV Im[Pi]= -0.000030 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 2.436851 meV Im[Pi]= -0.000060 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.350449 meV Im[Pi]= -0.000012 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0736 eV Re[Pi]= -0.213449 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0861 eV Re[Pi]= -0.106405 meV Im[Pi]= -0.000001 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.390537 meV Im[Pi]= 0.000001 meV
+ Omega( 4 )= 0.1410 eV Re[Pi]= -2.999271 meV Im[Pi]= 0.000030 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -2.436851 meV Im[Pi]= 0.000060 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.350449 meV Im[Pi]= 0.000012 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2559,12 +2737,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.1225 eV Re[Pi]= 0.416338 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1230 eV Re[Pi]= 0.226653 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1393 eV Re[Pi]= 1.569364 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0907 eV Re[Pi]= -0.185489 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.1225 eV Re[Pi]= -0.416338 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1230 eV Re[Pi]= -0.226653 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1348 eV Re[Pi]= -0.306946 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1393 eV Re[Pi]= -1.569364 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -1.763995 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2586,12 +2766,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0961 eV Re[Pi]= 0.096998 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1073 eV Re[Pi]= 0.165004 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1304 eV Re[Pi]= 0.551016 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1403 eV Re[Pi]= 1.260002 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1432 eV Re[Pi]= 0.857726 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1586 eV Re[Pi]= 1.188401 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0961 eV Re[Pi]= -0.096998 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1073 eV Re[Pi]= -0.165004 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1304 eV Re[Pi]= -0.551016 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1403 eV Re[Pi]= -1.260002 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1432 eV Re[Pi]= -0.857726 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1586 eV Re[Pi]= -1.188401 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2613,12 +2795,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0990 eV Re[Pi]= 0.091644 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1088 eV Re[Pi]= 0.149577 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1310 eV Re[Pi]= 0.637603 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1382 eV Re[Pi]= 1.263148 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1448 eV Re[Pi]= 0.824802 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1556 eV Re[Pi]= 1.137896 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0990 eV Re[Pi]= -0.091644 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1088 eV Re[Pi]= -0.149577 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1310 eV Re[Pi]= -0.637603 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1382 eV Re[Pi]= -1.263148 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1448 eV Re[Pi]= -0.824802 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1556 eV Re[Pi]= -1.137896 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2640,12 +2824,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0852 eV Re[Pi]= 0.180324 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0981 eV Re[Pi]= 0.113231 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.496933 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1398 eV Re[Pi]= 1.607577 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1478 eV Re[Pi]= 1.845526 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1535 eV Re[Pi]= 1.215293 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0852 eV Re[Pi]= -0.180324 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0981 eV Re[Pi]= -0.113231 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.496933 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1398 eV Re[Pi]= -1.607577 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1478 eV Re[Pi]= -1.845526 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1535 eV Re[Pi]= -1.215293 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2667,12 +2853,14 @@
lambda___( tot )= 0.000958
lambda_tr( tot )= 0.000958
- Omega( 1 )= 0.0728 eV Re[Pi]= 0.251433 meV Im[Pi]= -0.000004 meV
- Omega( 2 )= 0.0882 eV Re[Pi]= 0.118142 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1192 eV Re[Pi]= 0.453297 meV Im[Pi]= -0.000003 meV
- Omega( 4 )= 0.1415 eV Re[Pi]= 2.902085 meV Im[Pi]= -0.000031 meV
- Omega( 5 )= 0.1456 eV Re[Pi]= 2.361376 meV Im[Pi]= -0.000075 meV
- Omega( 6 )= 0.1526 eV Re[Pi]= 1.300406 meV Im[Pi]= 0.000026 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0728 eV Re[Pi]= -0.251433 meV Im[Pi]= 0.000004 meV
+ Omega( 2 )= 0.0882 eV Re[Pi]= -0.118142 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1192 eV Re[Pi]= -0.453297 meV Im[Pi]= 0.000003 meV
+ Omega( 4 )= 0.1415 eV Re[Pi]= -2.902085 meV Im[Pi]= 0.000031 meV
+ Omega( 5 )= 0.1456 eV Re[Pi]= -2.361376 meV Im[Pi]= 0.000075 meV
+ Omega( 6 )= 0.1526 eV Re[Pi]= -1.300406 meV Im[Pi]= -0.000026 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2694,12 +2882,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0797 eV Re[Pi]= 0.080940 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0877 eV Re[Pi]= 0.192633 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1267 eV Re[Pi]= 0.402099 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1409 eV Re[Pi]= 2.382202 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1465 eV Re[Pi]= 2.030809 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.206145 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0797 eV Re[Pi]= -0.080940 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0877 eV Re[Pi]= -0.192633 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1267 eV Re[Pi]= -0.402099 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1409 eV Re[Pi]= -2.382202 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1465 eV Re[Pi]= -2.030809 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.206145 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2721,12 +2911,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0943 eV Re[Pi]= 0.152062 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1108 eV Re[Pi]= 0.260190 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1294 eV Re[Pi]= 0.371781 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1336 eV Re[Pi]= 0.725058 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 1.251525 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1505 eV Re[Pi]= 1.436395 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0943 eV Re[Pi]= -0.152062 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1108 eV Re[Pi]= -0.260190 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1294 eV Re[Pi]= -0.371781 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1336 eV Re[Pi]= -0.725058 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -1.251525 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1505 eV Re[Pi]= -1.436395 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2748,12 +2940,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.1113 eV Re[Pi]= 0.174103 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.1118 eV Re[Pi]= 0.152944 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1316 eV Re[Pi]= 0.589246 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1321 eV Re[Pi]= 0.644880 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1480 eV Re[Pi]= 0.943565 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1500 eV Re[Pi]= 0.967084 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.1113 eV Re[Pi]= -0.174103 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.1118 eV Re[Pi]= -0.152944 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1316 eV Re[Pi]= -0.589246 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1321 eV Re[Pi]= -0.644880 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1480 eV Re[Pi]= -0.943565 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1500 eV Re[Pi]= -0.967084 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2775,12 +2969,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.1225 eV Re[Pi]= 0.416337 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1230 eV Re[Pi]= 0.226652 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1393 eV Re[Pi]= 1.569364 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0907 eV Re[Pi]= -0.185489 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.1225 eV Re[Pi]= -0.416337 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1230 eV Re[Pi]= -0.226652 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1348 eV Re[Pi]= -0.306946 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1393 eV Re[Pi]= -1.569364 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -1.763995 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2802,12 +2998,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0954 eV Re[Pi]= 0.149373 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1124 eV Re[Pi]= 0.284991 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1290 eV Re[Pi]= 0.351829 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1334 eV Re[Pi]= 0.737996 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1453 eV Re[Pi]= 1.182927 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1504 eV Re[Pi]= 1.478509 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0954 eV Re[Pi]= -0.149373 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1124 eV Re[Pi]= -0.284991 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1290 eV Re[Pi]= -0.351829 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1334 eV Re[Pi]= -0.737996 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1453 eV Re[Pi]= -1.182927 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1504 eV Re[Pi]= -1.478509 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2829,12 +3027,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.1225 eV Re[Pi]= 0.416337 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1230 eV Re[Pi]= 0.226652 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1393 eV Re[Pi]= 1.569364 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0907 eV Re[Pi]= -0.185489 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.1225 eV Re[Pi]= -0.416337 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1230 eV Re[Pi]= -0.226652 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1348 eV Re[Pi]= -0.306946 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1393 eV Re[Pi]= -1.569364 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -1.763995 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2856,12 +3056,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0941 eV Re[Pi]= 0.153546 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1114 eV Re[Pi]= 0.282546 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1281 eV Re[Pi]= 0.345943 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1344 eV Re[Pi]= 0.745502 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1463 eV Re[Pi]= 1.158165 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1509 eV Re[Pi]= 1.488379 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0941 eV Re[Pi]= -0.153546 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1114 eV Re[Pi]= -0.282546 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1281 eV Re[Pi]= -0.345943 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1344 eV Re[Pi]= -0.745502 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1463 eV Re[Pi]= -1.158165 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1509 eV Re[Pi]= -1.488379 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2883,12 +3085,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1225 eV Re[Pi]= 0.416337 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1230 eV Re[Pi]= 0.226652 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1393 eV Re[Pi]= 1.569364 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0907 eV Re[Pi]= -0.185489 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1225 eV Re[Pi]= -0.416337 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1230 eV Re[Pi]= -0.226652 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1348 eV Re[Pi]= -0.306946 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1393 eV Re[Pi]= -1.569364 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -1.763995 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2910,12 +3114,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0941 eV Re[Pi]= 0.153545 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1114 eV Re[Pi]= 0.282546 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1281 eV Re[Pi]= 0.345942 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1344 eV Re[Pi]= 0.745499 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1463 eV Re[Pi]= 1.158167 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1509 eV Re[Pi]= 1.488380 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0941 eV Re[Pi]= -0.153545 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1114 eV Re[Pi]= -0.282546 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1281 eV Re[Pi]= -0.345942 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1344 eV Re[Pi]= -0.745499 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1463 eV Re[Pi]= -1.158167 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1509 eV Re[Pi]= -1.488380 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2937,12 +3143,14 @@
lambda___( tot )= 0.000958
lambda_tr( tot )= 0.000958
- Omega( 1 )= 0.0728 eV Re[Pi]= 0.251434 meV Im[Pi]= -0.000004 meV
- Omega( 2 )= 0.0882 eV Re[Pi]= 0.118141 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1192 eV Re[Pi]= 0.453312 meV Im[Pi]= -0.000003 meV
- Omega( 4 )= 0.1415 eV Re[Pi]= 2.902106 meV Im[Pi]= -0.000031 meV
- Omega( 5 )= 0.1456 eV Re[Pi]= 2.361348 meV Im[Pi]= -0.000075 meV
- Omega( 6 )= 0.1526 eV Re[Pi]= 1.300392 meV Im[Pi]= 0.000026 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0728 eV Re[Pi]= -0.251434 meV Im[Pi]= 0.000004 meV
+ Omega( 2 )= 0.0882 eV Re[Pi]= -0.118141 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1192 eV Re[Pi]= -0.453312 meV Im[Pi]= 0.000003 meV
+ Omega( 4 )= 0.1415 eV Re[Pi]= -2.902106 meV Im[Pi]= 0.000031 meV
+ Omega( 5 )= 0.1456 eV Re[Pi]= -2.361348 meV Im[Pi]= 0.000075 meV
+ Omega( 6 )= 0.1526 eV Re[Pi]= -1.300392 meV Im[Pi]= -0.000026 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2964,12 +3172,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0852 eV Re[Pi]= 0.180322 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0981 eV Re[Pi]= 0.113230 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.496927 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1398 eV Re[Pi]= 1.607574 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1478 eV Re[Pi]= 1.845520 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1535 eV Re[Pi]= 1.215293 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0852 eV Re[Pi]= -0.180322 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0981 eV Re[Pi]= -0.113230 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.496927 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1398 eV Re[Pi]= -1.607574 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1478 eV Re[Pi]= -1.845520 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1535 eV Re[Pi]= -1.215293 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -2991,12 +3201,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0990 eV Re[Pi]= 0.091644 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1088 eV Re[Pi]= 0.149576 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1310 eV Re[Pi]= 0.637597 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1382 eV Re[Pi]= 1.263155 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1448 eV Re[Pi]= 0.824797 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1556 eV Re[Pi]= 1.137882 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0990 eV Re[Pi]= -0.091644 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1088 eV Re[Pi]= -0.149576 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1310 eV Re[Pi]= -0.637597 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1382 eV Re[Pi]= -1.263155 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1448 eV Re[Pi]= -0.824797 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1556 eV Re[Pi]= -1.137882 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3018,12 +3230,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.1113 eV Re[Pi]= 0.174102 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.1118 eV Re[Pi]= 0.152942 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1316 eV Re[Pi]= 0.589241 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1321 eV Re[Pi]= 0.644878 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1480 eV Re[Pi]= 0.943567 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1500 eV Re[Pi]= 0.967085 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.1113 eV Re[Pi]= -0.174102 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.1118 eV Re[Pi]= -0.152942 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1316 eV Re[Pi]= -0.589241 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1321 eV Re[Pi]= -0.644878 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1480 eV Re[Pi]= -0.943567 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1500 eV Re[Pi]= -0.967085 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3045,12 +3259,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0943 eV Re[Pi]= 0.152062 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1108 eV Re[Pi]= 0.260190 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1294 eV Re[Pi]= 0.371781 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1336 eV Re[Pi]= 0.725058 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 1.251525 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1505 eV Re[Pi]= 1.436396 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0943 eV Re[Pi]= -0.152062 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1108 eV Re[Pi]= -0.260190 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1294 eV Re[Pi]= -0.371781 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1336 eV Re[Pi]= -0.725058 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -1.251525 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1505 eV Re[Pi]= -1.436396 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3072,12 +3288,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0797 eV Re[Pi]= 0.080940 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0877 eV Re[Pi]= 0.192632 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1267 eV Re[Pi]= 0.402104 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1409 eV Re[Pi]= 2.382174 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1465 eV Re[Pi]= 2.030834 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.206148 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0797 eV Re[Pi]= -0.080940 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0877 eV Re[Pi]= -0.192632 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1267 eV Re[Pi]= -0.402104 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1409 eV Re[Pi]= -2.382174 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1465 eV Re[Pi]= -2.030834 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.206148 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3099,12 +3317,14 @@
lambda___( tot )= 0.000344
lambda_tr( tot )= 0.000344
- Omega( 1 )= 0.0713 eV Re[Pi]= 0.030408 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0726 eV Re[Pi]= 0.030908 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1317 eV Re[Pi]= 0.316974 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1405 eV Re[Pi]= 3.721599 meV Im[Pi]= 0.000004 meV
- Omega( 5 )= 0.1412 eV Re[Pi]= 3.721216 meV Im[Pi]= 0.000001 meV
- Omega( 6 )= 0.1568 eV Re[Pi]= 1.241395 meV Im[Pi]= 0.000005 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0713 eV Re[Pi]= -0.030408 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0726 eV Re[Pi]= -0.030908 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1317 eV Re[Pi]= -0.316974 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1405 eV Re[Pi]= -3.721599 meV Im[Pi]= -0.000004 meV
+ Omega( 5 )= 0.1412 eV Re[Pi]= -3.721216 meV Im[Pi]= -0.000001 meV
+ Omega( 6 )= 0.1568 eV Re[Pi]= -1.241395 meV Im[Pi]= -0.000005 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3126,12 +3346,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0797 eV Re[Pi]= 0.080940 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0877 eV Re[Pi]= 0.192632 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1267 eV Re[Pi]= 0.402104 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1409 eV Re[Pi]= 2.382174 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1465 eV Re[Pi]= 2.030834 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.206148 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0797 eV Re[Pi]= -0.080940 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0877 eV Re[Pi]= -0.192632 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1267 eV Re[Pi]= -0.402104 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1409 eV Re[Pi]= -2.382174 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1465 eV Re[Pi]= -2.030834 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.206148 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3153,12 +3375,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0961 eV Re[Pi]= 0.096998 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1073 eV Re[Pi]= 0.165004 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1304 eV Re[Pi]= 0.551012 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1403 eV Re[Pi]= 1.259995 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1432 eV Re[Pi]= 0.857731 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1586 eV Re[Pi]= 1.188403 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0961 eV Re[Pi]= -0.096998 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1073 eV Re[Pi]= -0.165004 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1304 eV Re[Pi]= -0.551012 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1403 eV Re[Pi]= -1.259995 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1432 eV Re[Pi]= -0.857731 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1586 eV Re[Pi]= -1.188403 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3180,12 +3404,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.1055 eV Re[Pi]= 0.075331 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1099 eV Re[Pi]= 0.071207 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1353 eV Re[Pi]= 0.982484 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1388 eV Re[Pi]= 0.981596 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1519 eV Re[Pi]= 0.798119 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1564 eV Re[Pi]= 0.787738 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.1055 eV Re[Pi]= -0.075331 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1099 eV Re[Pi]= -0.071207 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1353 eV Re[Pi]= -0.982484 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1388 eV Re[Pi]= -0.981596 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1519 eV Re[Pi]= -0.798119 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1564 eV Re[Pi]= -0.787738 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3207,12 +3433,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0961 eV Re[Pi]= 0.096999 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1073 eV Re[Pi]= 0.165004 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1304 eV Re[Pi]= 0.551012 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1403 eV Re[Pi]= 1.260002 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1432 eV Re[Pi]= 0.857728 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1586 eV Re[Pi]= 1.188401 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0961 eV Re[Pi]= -0.096999 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1073 eV Re[Pi]= -0.165004 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1304 eV Re[Pi]= -0.551012 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1403 eV Re[Pi]= -1.260002 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1432 eV Re[Pi]= -0.857728 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1586 eV Re[Pi]= -1.188401 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3234,12 +3462,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0797 eV Re[Pi]= 0.080940 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0877 eV Re[Pi]= 0.192633 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1267 eV Re[Pi]= 0.402099 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1409 eV Re[Pi]= 2.382202 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1465 eV Re[Pi]= 2.030809 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.206145 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0797 eV Re[Pi]= -0.080940 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0877 eV Re[Pi]= -0.192633 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1267 eV Re[Pi]= -0.402099 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1409 eV Re[Pi]= -2.382202 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1465 eV Re[Pi]= -2.030809 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.206145 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3261,12 +3491,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0778 eV Re[Pi]= 0.086942 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0880 eV Re[Pi]= 0.189646 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1260 eV Re[Pi]= 0.382843 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1420 eV Re[Pi]= 2.312967 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 2.083925 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1535 eV Re[Pi]= 1.128523 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0778 eV Re[Pi]= -0.086942 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0880 eV Re[Pi]= -0.189646 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1260 eV Re[Pi]= -0.382843 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1420 eV Re[Pi]= -2.312967 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -2.083925 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1535 eV Re[Pi]= -1.128523 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3288,12 +3520,14 @@
lambda___( tot )= 0.000991
lambda_tr( tot )= 0.000991
- Omega( 1 )= 0.0736 eV Re[Pi]= 0.213448 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0861 eV Re[Pi]= 0.106407 meV Im[Pi]= 0.000001 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.390536 meV Im[Pi]= -0.000001 meV
- Omega( 4 )= 0.1410 eV Re[Pi]= 2.999292 meV Im[Pi]= -0.000030 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 2.436834 meV Im[Pi]= -0.000060 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.350443 meV Im[Pi]= -0.000012 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0736 eV Re[Pi]= -0.213448 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0861 eV Re[Pi]= -0.106407 meV Im[Pi]= -0.000001 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.390536 meV Im[Pi]= 0.000001 meV
+ Omega( 4 )= 0.1410 eV Re[Pi]= -2.999292 meV Im[Pi]= 0.000030 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -2.436834 meV Im[Pi]= 0.000060 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.350443 meV Im[Pi]= 0.000012 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3315,12 +3549,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0831 eV Re[Pi]= 0.183742 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0959 eV Re[Pi]= 0.115246 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1161 eV Re[Pi]= 0.467966 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1412 eV Re[Pi]= 1.608991 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1489 eV Re[Pi]= 1.854555 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1555 eV Re[Pi]= 1.230503 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0831 eV Re[Pi]= -0.183742 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0959 eV Re[Pi]= -0.115246 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1161 eV Re[Pi]= -0.467966 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1412 eV Re[Pi]= -1.608991 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1489 eV Re[Pi]= -1.854555 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1555 eV Re[Pi]= -1.230503 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3342,12 +3578,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0955 eV Re[Pi]= 0.101257 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1056 eV Re[Pi]= 0.172282 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1301 eV Re[Pi]= 0.532750 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1407 eV Re[Pi]= 1.255732 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1437 eV Re[Pi]= 0.877280 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1595 eV Re[Pi]= 1.186884 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0955 eV Re[Pi]= -0.101257 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1056 eV Re[Pi]= -0.172282 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1301 eV Re[Pi]= -0.532750 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1407 eV Re[Pi]= -1.255732 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1437 eV Re[Pi]= -0.877280 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1595 eV Re[Pi]= -1.186884 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3369,12 +3607,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.1113 eV Re[Pi]= 0.174103 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.1118 eV Re[Pi]= 0.152944 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1316 eV Re[Pi]= 0.589247 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1321 eV Re[Pi]= 0.644879 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1480 eV Re[Pi]= 0.943565 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1500 eV Re[Pi]= 0.967084 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.1113 eV Re[Pi]= -0.174103 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.1118 eV Re[Pi]= -0.152944 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1316 eV Re[Pi]= -0.589247 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1321 eV Re[Pi]= -0.644879 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1480 eV Re[Pi]= -0.943565 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1500 eV Re[Pi]= -0.967084 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3396,12 +3636,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0941 eV Re[Pi]= 0.153546 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1114 eV Re[Pi]= 0.282546 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1281 eV Re[Pi]= 0.345944 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1344 eV Re[Pi]= 0.745502 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1463 eV Re[Pi]= 1.158166 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1509 eV Re[Pi]= 1.488379 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0941 eV Re[Pi]= -0.153546 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1114 eV Re[Pi]= -0.282546 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1281 eV Re[Pi]= -0.345944 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1344 eV Re[Pi]= -0.745502 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1463 eV Re[Pi]= -1.158166 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1509 eV Re[Pi]= -1.488379 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3423,12 +3665,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0955 eV Re[Pi]= 0.101257 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1056 eV Re[Pi]= 0.172282 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1301 eV Re[Pi]= 0.532747 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1407 eV Re[Pi]= 1.255726 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1437 eV Re[Pi]= 0.877283 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1595 eV Re[Pi]= 1.186889 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0955 eV Re[Pi]= -0.101257 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1056 eV Re[Pi]= -0.172282 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1301 eV Re[Pi]= -0.532747 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1407 eV Re[Pi]= -1.255726 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1437 eV Re[Pi]= -0.877283 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1595 eV Re[Pi]= -1.186889 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3450,12 +3694,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0831 eV Re[Pi]= 0.183743 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0959 eV Re[Pi]= 0.115244 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1161 eV Re[Pi]= 0.467965 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1412 eV Re[Pi]= 1.608992 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1489 eV Re[Pi]= 1.854541 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1555 eV Re[Pi]= 1.230508 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0831 eV Re[Pi]= -0.183743 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0959 eV Re[Pi]= -0.115244 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1161 eV Re[Pi]= -0.467965 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1412 eV Re[Pi]= -1.608992 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1489 eV Re[Pi]= -1.854541 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1555 eV Re[Pi]= -1.230508 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3477,12 +3723,14 @@
lambda___( tot )= 0.000991
lambda_tr( tot )= 0.000991
- Omega( 1 )= 0.0736 eV Re[Pi]= 0.213449 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0861 eV Re[Pi]= 0.106405 meV Im[Pi]= 0.000001 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.390538 meV Im[Pi]= -0.000001 meV
- Omega( 4 )= 0.1410 eV Re[Pi]= 2.999272 meV Im[Pi]= -0.000030 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 2.436850 meV Im[Pi]= -0.000060 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.350449 meV Im[Pi]= -0.000012 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0736 eV Re[Pi]= -0.213449 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0861 eV Re[Pi]= -0.106405 meV Im[Pi]= -0.000001 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.390538 meV Im[Pi]= 0.000001 meV
+ Omega( 4 )= 0.1410 eV Re[Pi]= -2.999272 meV Im[Pi]= 0.000030 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -2.436850 meV Im[Pi]= 0.000060 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.350449 meV Im[Pi]= 0.000012 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3504,12 +3752,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0778 eV Re[Pi]= 0.086943 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0880 eV Re[Pi]= 0.189646 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1260 eV Re[Pi]= 0.382847 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1420 eV Re[Pi]= 2.312995 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 2.083906 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1535 eV Re[Pi]= 1.128518 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0778 eV Re[Pi]= -0.086943 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0880 eV Re[Pi]= -0.189646 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1260 eV Re[Pi]= -0.382847 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1420 eV Re[Pi]= -2.312995 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -2.083906 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1535 eV Re[Pi]= -1.128518 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3531,12 +3781,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0941 eV Re[Pi]= 0.153545 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1114 eV Re[Pi]= 0.282546 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1281 eV Re[Pi]= 0.345943 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1344 eV Re[Pi]= 0.745499 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1463 eV Re[Pi]= 1.158167 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1509 eV Re[Pi]= 1.488380 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0941 eV Re[Pi]= -0.153545 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1114 eV Re[Pi]= -0.282546 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1281 eV Re[Pi]= -0.345943 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1344 eV Re[Pi]= -0.745499 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1463 eV Re[Pi]= -1.158167 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1509 eV Re[Pi]= -1.488380 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3558,12 +3810,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.1113 eV Re[Pi]= 0.174102 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.1118 eV Re[Pi]= 0.152942 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1316 eV Re[Pi]= 0.589243 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1321 eV Re[Pi]= 0.644877 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1480 eV Re[Pi]= 0.943566 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1500 eV Re[Pi]= 0.967086 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.1113 eV Re[Pi]= -0.174102 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.1118 eV Re[Pi]= -0.152942 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1316 eV Re[Pi]= -0.589243 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1321 eV Re[Pi]= -0.644877 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1480 eV Re[Pi]= -0.943566 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1500 eV Re[Pi]= -0.967086 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3585,12 +3839,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.1055 eV Re[Pi]= 0.075331 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1099 eV Re[Pi]= 0.071207 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1353 eV Re[Pi]= 0.982484 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1388 eV Re[Pi]= 0.981596 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1519 eV Re[Pi]= 0.798120 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1564 eV Re[Pi]= 0.787738 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.1055 eV Re[Pi]= -0.075331 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1099 eV Re[Pi]= -0.071207 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1353 eV Re[Pi]= -0.982484 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1388 eV Re[Pi]= -0.981596 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1519 eV Re[Pi]= -0.798120 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1564 eV Re[Pi]= -0.787738 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3612,12 +3868,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0961 eV Re[Pi]= 0.096998 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1073 eV Re[Pi]= 0.165004 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1304 eV Re[Pi]= 0.551014 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1403 eV Re[Pi]= 1.260002 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1432 eV Re[Pi]= 0.857728 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1586 eV Re[Pi]= 1.188401 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0961 eV Re[Pi]= -0.096998 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1073 eV Re[Pi]= -0.165004 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1304 eV Re[Pi]= -0.551014 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1403 eV Re[Pi]= -1.260002 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1432 eV Re[Pi]= -0.857728 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1586 eV Re[Pi]= -1.188401 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3639,12 +3897,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0797 eV Re[Pi]= 0.080940 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0877 eV Re[Pi]= 0.192633 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1267 eV Re[Pi]= 0.402099 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1409 eV Re[Pi]= 2.382202 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1465 eV Re[Pi]= 2.030809 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.206145 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0797 eV Re[Pi]= -0.080940 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0877 eV Re[Pi]= -0.192633 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1267 eV Re[Pi]= -0.402099 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1409 eV Re[Pi]= -2.382202 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1465 eV Re[Pi]= -2.030809 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.206145 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3666,12 +3926,14 @@
lambda___( tot )= 0.000344
lambda_tr( tot )= 0.000344
- Omega( 1 )= 0.0713 eV Re[Pi]= 0.030408 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0726 eV Re[Pi]= 0.030908 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1317 eV Re[Pi]= 0.316974 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1405 eV Re[Pi]= 3.721599 meV Im[Pi]= 0.000004 meV
- Omega( 5 )= 0.1412 eV Re[Pi]= 3.721216 meV Im[Pi]= 0.000001 meV
- Omega( 6 )= 0.1568 eV Re[Pi]= 1.241395 meV Im[Pi]= 0.000005 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0713 eV Re[Pi]= -0.030408 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0726 eV Re[Pi]= -0.030908 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1317 eV Re[Pi]= -0.316974 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1405 eV Re[Pi]= -3.721599 meV Im[Pi]= -0.000004 meV
+ Omega( 5 )= 0.1412 eV Re[Pi]= -3.721216 meV Im[Pi]= -0.000001 meV
+ Omega( 6 )= 0.1568 eV Re[Pi]= -1.241395 meV Im[Pi]= -0.000005 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3693,12 +3955,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0797 eV Re[Pi]= 0.080940 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0877 eV Re[Pi]= 0.192632 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1267 eV Re[Pi]= 0.402104 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1409 eV Re[Pi]= 2.382174 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1465 eV Re[Pi]= 2.030834 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.206148 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0797 eV Re[Pi]= -0.080940 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0877 eV Re[Pi]= -0.192632 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1267 eV Re[Pi]= -0.402104 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1409 eV Re[Pi]= -2.382174 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1465 eV Re[Pi]= -2.030834 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.206148 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3720,12 +3984,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0961 eV Re[Pi]= 0.096998 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1073 eV Re[Pi]= 0.165004 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1304 eV Re[Pi]= 0.551010 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1403 eV Re[Pi]= 1.259994 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1432 eV Re[Pi]= 0.857732 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1586 eV Re[Pi]= 1.188403 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0961 eV Re[Pi]= -0.096998 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1073 eV Re[Pi]= -0.165004 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1304 eV Re[Pi]= -0.551010 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1403 eV Re[Pi]= -1.259994 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1432 eV Re[Pi]= -0.857732 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1586 eV Re[Pi]= -1.188403 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3747,12 +4013,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0955 eV Re[Pi]= 0.101257 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1056 eV Re[Pi]= 0.172282 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1301 eV Re[Pi]= 0.532749 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1407 eV Re[Pi]= 1.255732 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1437 eV Re[Pi]= 0.877280 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1595 eV Re[Pi]= 1.186884 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0955 eV Re[Pi]= -0.101257 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1056 eV Re[Pi]= -0.172282 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1301 eV Re[Pi]= -0.532749 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1407 eV Re[Pi]= -1.255732 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1437 eV Re[Pi]= -0.877280 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1595 eV Re[Pi]= -1.186884 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3774,12 +4042,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.1113 eV Re[Pi]= 0.174103 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.1118 eV Re[Pi]= 0.152944 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1316 eV Re[Pi]= 0.589246 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1321 eV Re[Pi]= 0.644879 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1480 eV Re[Pi]= 0.943565 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1500 eV Re[Pi]= 0.967084 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.1113 eV Re[Pi]= -0.174103 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.1118 eV Re[Pi]= -0.152944 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1316 eV Re[Pi]= -0.589246 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1321 eV Re[Pi]= -0.644879 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1480 eV Re[Pi]= -0.943565 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1500 eV Re[Pi]= -0.967084 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3801,12 +4071,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0941 eV Re[Pi]= 0.153546 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1114 eV Re[Pi]= 0.282546 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1281 eV Re[Pi]= 0.345943 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1344 eV Re[Pi]= 0.745502 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1463 eV Re[Pi]= 1.158165 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1509 eV Re[Pi]= 1.488379 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0941 eV Re[Pi]= -0.153546 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1114 eV Re[Pi]= -0.282546 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1281 eV Re[Pi]= -0.345943 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1344 eV Re[Pi]= -0.745502 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1463 eV Re[Pi]= -1.158165 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1509 eV Re[Pi]= -1.488379 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3828,12 +4100,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0778 eV Re[Pi]= 0.086942 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0880 eV Re[Pi]= 0.189646 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1260 eV Re[Pi]= 0.382843 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1420 eV Re[Pi]= 2.312966 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 2.083925 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1535 eV Re[Pi]= 1.128522 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0778 eV Re[Pi]= -0.086942 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0880 eV Re[Pi]= -0.189646 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1260 eV Re[Pi]= -0.382843 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1420 eV Re[Pi]= -2.312966 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -2.083925 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1535 eV Re[Pi]= -1.128522 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3855,12 +4129,14 @@
lambda___( tot )= 0.000991
lambda_tr( tot )= 0.000991
- Omega( 1 )= 0.0736 eV Re[Pi]= 0.213448 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0861 eV Re[Pi]= 0.106406 meV Im[Pi]= 0.000001 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.390536 meV Im[Pi]= -0.000001 meV
- Omega( 4 )= 0.1410 eV Re[Pi]= 2.999292 meV Im[Pi]= -0.000030 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 2.436834 meV Im[Pi]= -0.000060 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.350443 meV Im[Pi]= -0.000012 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0736 eV Re[Pi]= -0.213448 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0861 eV Re[Pi]= -0.106406 meV Im[Pi]= -0.000001 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.390536 meV Im[Pi]= 0.000001 meV
+ Omega( 4 )= 0.1410 eV Re[Pi]= -2.999292 meV Im[Pi]= 0.000030 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -2.436834 meV Im[Pi]= 0.000060 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.350443 meV Im[Pi]= 0.000012 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3882,12 +4158,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0831 eV Re[Pi]= 0.183742 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0959 eV Re[Pi]= 0.115246 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1161 eV Re[Pi]= 0.467965 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1412 eV Re[Pi]= 1.608991 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1489 eV Re[Pi]= 1.854555 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1555 eV Re[Pi]= 1.230504 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0831 eV Re[Pi]= -0.183742 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0959 eV Re[Pi]= -0.115246 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1161 eV Re[Pi]= -0.467965 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1412 eV Re[Pi]= -1.608991 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1489 eV Re[Pi]= -1.854555 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1555 eV Re[Pi]= -1.230504 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3909,12 +4187,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0778 eV Re[Pi]= 0.086943 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0880 eV Re[Pi]= 0.189646 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1260 eV Re[Pi]= 0.382847 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1420 eV Re[Pi]= 2.312995 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 2.083906 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1535 eV Re[Pi]= 1.128519 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0778 eV Re[Pi]= -0.086943 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0880 eV Re[Pi]= -0.189646 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1260 eV Re[Pi]= -0.382847 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1420 eV Re[Pi]= -2.312995 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -2.083906 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1535 eV Re[Pi]= -1.128519 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3936,12 +4216,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0941 eV Re[Pi]= 0.153546 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1114 eV Re[Pi]= 0.282546 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1281 eV Re[Pi]= 0.345942 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1344 eV Re[Pi]= 0.745500 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1463 eV Re[Pi]= 1.158167 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1509 eV Re[Pi]= 1.488380 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0941 eV Re[Pi]= -0.153546 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1114 eV Re[Pi]= -0.282546 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1281 eV Re[Pi]= -0.345942 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1344 eV Re[Pi]= -0.745500 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1463 eV Re[Pi]= -1.158167 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1509 eV Re[Pi]= -1.488380 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3963,12 +4245,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.1113 eV Re[Pi]= 0.174102 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.1118 eV Re[Pi]= 0.152942 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1316 eV Re[Pi]= 0.589241 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1321 eV Re[Pi]= 0.644878 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1480 eV Re[Pi]= 0.943567 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1500 eV Re[Pi]= 0.967085 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.1113 eV Re[Pi]= -0.174102 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.1118 eV Re[Pi]= -0.152942 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1316 eV Re[Pi]= -0.589241 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1321 eV Re[Pi]= -0.644878 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1480 eV Re[Pi]= -0.943567 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1500 eV Re[Pi]= -0.967085 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -3990,12 +4274,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0955 eV Re[Pi]= 0.101257 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1056 eV Re[Pi]= 0.172282 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1301 eV Re[Pi]= 0.532746 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1407 eV Re[Pi]= 1.255725 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1437 eV Re[Pi]= 0.877284 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1595 eV Re[Pi]= 1.186889 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0955 eV Re[Pi]= -0.101257 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1056 eV Re[Pi]= -0.172282 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1301 eV Re[Pi]= -0.532746 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1407 eV Re[Pi]= -1.255725 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1437 eV Re[Pi]= -0.877284 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1595 eV Re[Pi]= -1.186889 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4017,12 +4303,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0831 eV Re[Pi]= 0.183743 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0959 eV Re[Pi]= 0.115244 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1161 eV Re[Pi]= 0.467964 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1412 eV Re[Pi]= 1.608991 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1489 eV Re[Pi]= 1.854541 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1555 eV Re[Pi]= 1.230508 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0831 eV Re[Pi]= -0.183743 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0959 eV Re[Pi]= -0.115244 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1161 eV Re[Pi]= -0.467964 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1412 eV Re[Pi]= -1.608991 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1489 eV Re[Pi]= -1.854541 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1555 eV Re[Pi]= -1.230508 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4044,12 +4332,14 @@
lambda___( tot )= 0.000991
lambda_tr( tot )= 0.000991
- Omega( 1 )= 0.0736 eV Re[Pi]= 0.213448 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0861 eV Re[Pi]= 0.106405 meV Im[Pi]= 0.000001 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.390536 meV Im[Pi]= -0.000001 meV
- Omega( 4 )= 0.1410 eV Re[Pi]= 2.999272 meV Im[Pi]= -0.000030 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 2.436851 meV Im[Pi]= -0.000060 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.350450 meV Im[Pi]= -0.000012 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0736 eV Re[Pi]= -0.213448 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0861 eV Re[Pi]= -0.106405 meV Im[Pi]= -0.000001 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.390536 meV Im[Pi]= 0.000001 meV
+ Omega( 4 )= 0.1410 eV Re[Pi]= -2.999272 meV Im[Pi]= 0.000030 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -2.436851 meV Im[Pi]= 0.000060 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.350450 meV Im[Pi]= 0.000012 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4071,12 +4361,14 @@
lambda___( tot )= 0.037636
lambda_tr( tot )= 0.037636
- Omega( 1 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1097 eV Re[Pi]= 0.410091 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1390 eV Re[Pi]= 5.117548 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1390 eV Re[Pi]= 5.117547 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1551 eV Re[Pi]= 1.966323 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0616 eV Re[Pi]= -0.096342 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0616 eV Re[Pi]= -0.096342 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1097 eV Re[Pi]= -0.410091 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1390 eV Re[Pi]= -5.117548 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1390 eV Re[Pi]= -5.117547 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1551 eV Re[Pi]= -1.966323 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4098,12 +4390,14 @@
lambda___( tot )= 0.000991
lambda_tr( tot )= 0.000991
- Omega( 1 )= 0.0736 eV Re[Pi]= 0.213449 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0861 eV Re[Pi]= 0.106405 meV Im[Pi]= 0.000001 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.390537 meV Im[Pi]= -0.000001 meV
- Omega( 4 )= 0.1410 eV Re[Pi]= 2.999272 meV Im[Pi]= -0.000030 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 2.436851 meV Im[Pi]= -0.000060 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.350450 meV Im[Pi]= -0.000012 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0736 eV Re[Pi]= -0.213449 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0861 eV Re[Pi]= -0.106405 meV Im[Pi]= -0.000001 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.390537 meV Im[Pi]= 0.000001 meV
+ Omega( 4 )= 0.1410 eV Re[Pi]= -2.999272 meV Im[Pi]= 0.000030 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -2.436851 meV Im[Pi]= 0.000060 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.350450 meV Im[Pi]= 0.000012 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4125,12 +4419,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.1225 eV Re[Pi]= 0.416338 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1230 eV Re[Pi]= 0.226653 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1393 eV Re[Pi]= 1.569365 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0907 eV Re[Pi]= -0.185489 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.1225 eV Re[Pi]= -0.416338 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1230 eV Re[Pi]= -0.226653 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1348 eV Re[Pi]= -0.306946 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1393 eV Re[Pi]= -1.569365 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -1.763995 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4152,12 +4448,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0961 eV Re[Pi]= 0.096999 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1073 eV Re[Pi]= 0.165004 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1304 eV Re[Pi]= 0.551012 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1403 eV Re[Pi]= 1.260002 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1432 eV Re[Pi]= 0.857728 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1586 eV Re[Pi]= 1.188401 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0961 eV Re[Pi]= -0.096999 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1073 eV Re[Pi]= -0.165004 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1304 eV Re[Pi]= -0.551012 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1403 eV Re[Pi]= -1.260002 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1432 eV Re[Pi]= -0.857728 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1586 eV Re[Pi]= -1.188401 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4179,12 +4477,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0836 eV Re[Pi]= 0.080148 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0836 eV Re[Pi]= 0.080148 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1182 eV Re[Pi]= 0.679990 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1437 eV Re[Pi]= 1.677078 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1437 eV Re[Pi]= 1.677077 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1633 eV Re[Pi]= 1.707672 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0836 eV Re[Pi]= -0.080148 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0836 eV Re[Pi]= -0.080148 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1182 eV Re[Pi]= -0.679990 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1437 eV Re[Pi]= -1.677078 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1437 eV Re[Pi]= -1.677077 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1633 eV Re[Pi]= -1.707672 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4206,12 +4506,14 @@
lambda___( tot )= 0.001298
lambda_tr( tot )= 0.001298
- Omega( 1 )= 0.0661 eV Re[Pi]= 0.077123 meV Im[Pi]= 0.000003 meV
- Omega( 2 )= 0.0682 eV Re[Pi]= 0.240714 meV Im[Pi]= -0.000006 meV
- Omega( 3 )= 0.1003 eV Re[Pi]= 0.542955 meV Im[Pi]= -0.000010 meV
- Omega( 4 )= 0.1407 eV Re[Pi]= 3.380786 meV Im[Pi]= -0.000044 meV
- Omega( 5 )= 0.1429 eV Re[Pi]= 3.456782 meV Im[Pi]= -0.000217 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 2.142352 meV Im[Pi]= -0.000021 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0661 eV Re[Pi]= -0.077123 meV Im[Pi]= -0.000003 meV
+ Omega( 2 )= 0.0682 eV Re[Pi]= -0.240714 meV Im[Pi]= 0.000006 meV
+ Omega( 3 )= 0.1003 eV Re[Pi]= -0.542955 meV Im[Pi]= 0.000010 meV
+ Omega( 4 )= 0.1407 eV Re[Pi]= -3.380786 meV Im[Pi]= 0.000044 meV
+ Omega( 5 )= 0.1429 eV Re[Pi]= -3.456782 meV Im[Pi]= 0.000217 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -2.142352 meV Im[Pi]= 0.000021 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4233,12 +4535,14 @@
lambda___( tot )= 0.000958
lambda_tr( tot )= 0.000958
- Omega( 1 )= 0.0728 eV Re[Pi]= 0.251433 meV Im[Pi]= -0.000004 meV
- Omega( 2 )= 0.0882 eV Re[Pi]= 0.118142 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1192 eV Re[Pi]= 0.453297 meV Im[Pi]= -0.000003 meV
- Omega( 4 )= 0.1415 eV Re[Pi]= 2.902085 meV Im[Pi]= -0.000031 meV
- Omega( 5 )= 0.1456 eV Re[Pi]= 2.361376 meV Im[Pi]= -0.000075 meV
- Omega( 6 )= 0.1526 eV Re[Pi]= 1.300406 meV Im[Pi]= 0.000026 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0728 eV Re[Pi]= -0.251433 meV Im[Pi]= 0.000004 meV
+ Omega( 2 )= 0.0882 eV Re[Pi]= -0.118142 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1192 eV Re[Pi]= -0.453297 meV Im[Pi]= 0.000003 meV
+ Omega( 4 )= 0.1415 eV Re[Pi]= -2.902085 meV Im[Pi]= 0.000031 meV
+ Omega( 5 )= 0.1456 eV Re[Pi]= -2.361376 meV Im[Pi]= 0.000075 meV
+ Omega( 6 )= 0.1526 eV Re[Pi]= -1.300406 meV Im[Pi]= -0.000026 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4260,12 +4564,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0797 eV Re[Pi]= 0.080940 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0877 eV Re[Pi]= 0.192633 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1267 eV Re[Pi]= 0.402099 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1409 eV Re[Pi]= 2.382202 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1465 eV Re[Pi]= 2.030810 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.206145 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0797 eV Re[Pi]= -0.080940 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0877 eV Re[Pi]= -0.192633 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1267 eV Re[Pi]= -0.402099 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1409 eV Re[Pi]= -2.382202 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1465 eV Re[Pi]= -2.030810 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.206145 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4287,12 +4593,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0943 eV Re[Pi]= 0.152062 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1108 eV Re[Pi]= 0.260191 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1294 eV Re[Pi]= 0.371781 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1336 eV Re[Pi]= 0.725058 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 1.251525 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1505 eV Re[Pi]= 1.436395 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0943 eV Re[Pi]= -0.152062 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1108 eV Re[Pi]= -0.260191 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1294 eV Re[Pi]= -0.371781 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1336 eV Re[Pi]= -0.725058 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -1.251525 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1505 eV Re[Pi]= -1.436395 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4314,12 +4622,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.1113 eV Re[Pi]= 0.174103 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.1118 eV Re[Pi]= 0.152944 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1316 eV Re[Pi]= 0.589246 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1321 eV Re[Pi]= 0.644879 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1480 eV Re[Pi]= 0.943565 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1500 eV Re[Pi]= 0.967084 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.1113 eV Re[Pi]= -0.174103 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.1118 eV Re[Pi]= -0.152944 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1316 eV Re[Pi]= -0.589246 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1321 eV Re[Pi]= -0.644879 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1480 eV Re[Pi]= -0.943565 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1500 eV Re[Pi]= -0.967084 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4341,12 +4651,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0990 eV Re[Pi]= 0.091644 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1088 eV Re[Pi]= 0.149577 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1310 eV Re[Pi]= 0.637603 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1382 eV Re[Pi]= 1.263146 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1448 eV Re[Pi]= 0.824802 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1556 eV Re[Pi]= 1.137895 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0990 eV Re[Pi]= -0.091644 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1088 eV Re[Pi]= -0.149577 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1310 eV Re[Pi]= -0.637603 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1382 eV Re[Pi]= -1.263146 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1448 eV Re[Pi]= -0.824802 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1556 eV Re[Pi]= -1.137895 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4368,12 +4680,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0852 eV Re[Pi]= 0.180324 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0981 eV Re[Pi]= 0.113230 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.496932 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1398 eV Re[Pi]= 1.607577 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1478 eV Re[Pi]= 1.845526 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1535 eV Re[Pi]= 1.215293 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0852 eV Re[Pi]= -0.180324 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0981 eV Re[Pi]= -0.113230 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.496932 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1398 eV Re[Pi]= -1.607577 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1478 eV Re[Pi]= -1.845526 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1535 eV Re[Pi]= -1.215293 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4395,12 +4709,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1225 eV Re[Pi]= 0.416337 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1230 eV Re[Pi]= 0.226652 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1393 eV Re[Pi]= 1.569364 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0907 eV Re[Pi]= -0.185489 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1225 eV Re[Pi]= -0.416337 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1230 eV Re[Pi]= -0.226652 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1348 eV Re[Pi]= -0.306946 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1393 eV Re[Pi]= -1.569364 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -1.763995 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4422,12 +4738,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0941 eV Re[Pi]= 0.153546 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1114 eV Re[Pi]= 0.282546 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1281 eV Re[Pi]= 0.345943 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1344 eV Re[Pi]= 0.745503 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1463 eV Re[Pi]= 1.158165 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1509 eV Re[Pi]= 1.488380 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0941 eV Re[Pi]= -0.153546 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1114 eV Re[Pi]= -0.282546 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1281 eV Re[Pi]= -0.345943 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1344 eV Re[Pi]= -0.745503 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1463 eV Re[Pi]= -1.158165 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1509 eV Re[Pi]= -1.488380 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4449,12 +4767,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.1225 eV Re[Pi]= 0.416338 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1230 eV Re[Pi]= 0.226653 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1393 eV Re[Pi]= 1.569364 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0907 eV Re[Pi]= -0.185489 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.1225 eV Re[Pi]= -0.416338 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1230 eV Re[Pi]= -0.226653 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1348 eV Re[Pi]= -0.306946 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1393 eV Re[Pi]= -1.569364 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -1.763995 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4476,12 +4796,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0941 eV Re[Pi]= 0.153545 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1114 eV Re[Pi]= 0.282546 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1281 eV Re[Pi]= 0.345943 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1344 eV Re[Pi]= 0.745499 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1463 eV Re[Pi]= 1.158167 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1509 eV Re[Pi]= 1.488380 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0941 eV Re[Pi]= -0.153545 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1114 eV Re[Pi]= -0.282546 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1281 eV Re[Pi]= -0.345943 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1344 eV Re[Pi]= -0.745499 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1463 eV Re[Pi]= -1.158167 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1509 eV Re[Pi]= -1.488380 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4503,12 +4825,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1225 eV Re[Pi]= 0.416337 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1230 eV Re[Pi]= 0.226652 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1393 eV Re[Pi]= 1.569364 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0907 eV Re[Pi]= -0.185489 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1225 eV Re[Pi]= -0.416337 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1230 eV Re[Pi]= -0.226652 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1348 eV Re[Pi]= -0.306946 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1393 eV Re[Pi]= -1.569364 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -1.763995 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4530,12 +4854,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0954 eV Re[Pi]= 0.149373 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1124 eV Re[Pi]= 0.284991 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1290 eV Re[Pi]= 0.351829 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1334 eV Re[Pi]= 0.737996 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1453 eV Re[Pi]= 1.182927 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1504 eV Re[Pi]= 1.478509 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0954 eV Re[Pi]= -0.149373 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1124 eV Re[Pi]= -0.284991 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1290 eV Re[Pi]= -0.351829 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1334 eV Re[Pi]= -0.737996 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1453 eV Re[Pi]= -1.182927 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1504 eV Re[Pi]= -1.478509 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4557,12 +4883,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0990 eV Re[Pi]= 0.091644 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1088 eV Re[Pi]= 0.149576 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1310 eV Re[Pi]= 0.637596 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1382 eV Re[Pi]= 1.263154 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1448 eV Re[Pi]= 0.824797 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1556 eV Re[Pi]= 1.137882 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0990 eV Re[Pi]= -0.091644 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1088 eV Re[Pi]= -0.149576 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1310 eV Re[Pi]= -0.637596 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1382 eV Re[Pi]= -1.263154 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1448 eV Re[Pi]= -0.824797 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1556 eV Re[Pi]= -1.137882 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4584,12 +4912,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.1113 eV Re[Pi]= 0.174102 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.1118 eV Re[Pi]= 0.152942 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1316 eV Re[Pi]= 0.589242 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1321 eV Re[Pi]= 0.644877 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1480 eV Re[Pi]= 0.943567 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1500 eV Re[Pi]= 0.967085 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.1113 eV Re[Pi]= -0.174102 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.1118 eV Re[Pi]= -0.152942 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1316 eV Re[Pi]= -0.589242 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1321 eV Re[Pi]= -0.644877 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1480 eV Re[Pi]= -0.943567 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1500 eV Re[Pi]= -0.967085 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4611,12 +4941,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0943 eV Re[Pi]= 0.152062 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1108 eV Re[Pi]= 0.260190 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1294 eV Re[Pi]= 0.371782 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1336 eV Re[Pi]= 0.725058 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 1.251525 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1505 eV Re[Pi]= 1.436395 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0943 eV Re[Pi]= -0.152062 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1108 eV Re[Pi]= -0.260190 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1294 eV Re[Pi]= -0.371782 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1336 eV Re[Pi]= -0.725058 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -1.251525 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1505 eV Re[Pi]= -1.436395 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4638,12 +4970,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0797 eV Re[Pi]= 0.080940 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0877 eV Re[Pi]= 0.192632 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1267 eV Re[Pi]= 0.402104 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1409 eV Re[Pi]= 2.382174 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1465 eV Re[Pi]= 2.030834 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.206148 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0797 eV Re[Pi]= -0.080940 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0877 eV Re[Pi]= -0.192632 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1267 eV Re[Pi]= -0.402104 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1409 eV Re[Pi]= -2.382174 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1465 eV Re[Pi]= -2.030834 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.206148 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4665,12 +4999,14 @@
lambda___( tot )= 0.000958
lambda_tr( tot )= 0.000958
- Omega( 1 )= 0.0728 eV Re[Pi]= 0.251434 meV Im[Pi]= -0.000004 meV
- Omega( 2 )= 0.0882 eV Re[Pi]= 0.118141 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1192 eV Re[Pi]= 0.453312 meV Im[Pi]= -0.000003 meV
- Omega( 4 )= 0.1415 eV Re[Pi]= 2.902106 meV Im[Pi]= -0.000031 meV
- Omega( 5 )= 0.1456 eV Re[Pi]= 2.361348 meV Im[Pi]= -0.000075 meV
- Omega( 6 )= 0.1526 eV Re[Pi]= 1.300392 meV Im[Pi]= 0.000026 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0728 eV Re[Pi]= -0.251434 meV Im[Pi]= 0.000004 meV
+ Omega( 2 )= 0.0882 eV Re[Pi]= -0.118141 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1192 eV Re[Pi]= -0.453312 meV Im[Pi]= 0.000003 meV
+ Omega( 4 )= 0.1415 eV Re[Pi]= -2.902106 meV Im[Pi]= 0.000031 meV
+ Omega( 5 )= 0.1456 eV Re[Pi]= -2.361348 meV Im[Pi]= 0.000075 meV
+ Omega( 6 )= 0.1526 eV Re[Pi]= -1.300392 meV Im[Pi]= -0.000026 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4692,12 +5028,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0852 eV Re[Pi]= 0.180322 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0981 eV Re[Pi]= 0.113230 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.496927 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1398 eV Re[Pi]= 1.607573 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1478 eV Re[Pi]= 1.845520 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1535 eV Re[Pi]= 1.215293 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0852 eV Re[Pi]= -0.180322 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0981 eV Re[Pi]= -0.113230 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.496927 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1398 eV Re[Pi]= -1.607573 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1478 eV Re[Pi]= -1.845520 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1535 eV Re[Pi]= -1.215293 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4719,12 +5057,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0836 eV Re[Pi]= 0.080148 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0836 eV Re[Pi]= 0.080148 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1182 eV Re[Pi]= 0.679990 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1437 eV Re[Pi]= 1.677077 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1437 eV Re[Pi]= 1.677077 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1633 eV Re[Pi]= 1.707673 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0836 eV Re[Pi]= -0.080148 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0836 eV Re[Pi]= -0.080148 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1182 eV Re[Pi]= -0.679990 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1437 eV Re[Pi]= -1.677077 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1437 eV Re[Pi]= -1.677077 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1633 eV Re[Pi]= -1.707673 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4746,12 +5086,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0961 eV Re[Pi]= 0.096998 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1073 eV Re[Pi]= 0.165004 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1304 eV Re[Pi]= 0.551010 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1403 eV Re[Pi]= 1.259994 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1432 eV Re[Pi]= 0.857731 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1586 eV Re[Pi]= 1.188403 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0961 eV Re[Pi]= -0.096998 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1073 eV Re[Pi]= -0.165004 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1304 eV Re[Pi]= -0.551010 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1403 eV Re[Pi]= -1.259994 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1432 eV Re[Pi]= -0.857731 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1586 eV Re[Pi]= -1.188403 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4773,12 +5115,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1225 eV Re[Pi]= 0.416337 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1230 eV Re[Pi]= 0.226652 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1393 eV Re[Pi]= 1.569363 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0907 eV Re[Pi]= -0.185489 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1225 eV Re[Pi]= -0.416337 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1230 eV Re[Pi]= -0.226652 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1348 eV Re[Pi]= -0.306946 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1393 eV Re[Pi]= -1.569363 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -1.763995 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4800,12 +5144,14 @@
lambda___( tot )= 0.000991
lambda_tr( tot )= 0.000991
- Omega( 1 )= 0.0736 eV Re[Pi]= 0.213448 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0861 eV Re[Pi]= 0.106406 meV Im[Pi]= 0.000001 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.390536 meV Im[Pi]= -0.000001 meV
- Omega( 4 )= 0.1410 eV Re[Pi]= 2.999292 meV Im[Pi]= -0.000030 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 2.436834 meV Im[Pi]= -0.000060 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.350443 meV Im[Pi]= -0.000012 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0736 eV Re[Pi]= -0.213448 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0861 eV Re[Pi]= -0.106406 meV Im[Pi]= -0.000001 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.390536 meV Im[Pi]= 0.000001 meV
+ Omega( 4 )= 0.1410 eV Re[Pi]= -2.999292 meV Im[Pi]= 0.000030 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -2.436834 meV Im[Pi]= 0.000060 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.350443 meV Im[Pi]= 0.000012 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4819,20 +5165,22 @@
lambda___( 3 )= 0.000970 gamma___= 0.002033 meV omega= 109.6611 meV
lambda_tr( 3 )= 0.000970 gamma_tr= 0.002033 meV omega= 109.6611 meV
lambda___( 4 )= 0.015641 gamma___= 0.052713 meV omega= 139.0486 meV
- lambda_tr( 4 )= 0.015641 gamma_tr= 0.052712 meV omega= 139.0486 meV
+ lambda_tr( 4 )= 0.015641 gamma_tr= 0.052713 meV omega= 139.0486 meV
lambda___( 5 )= 0.015641 gamma___= 0.052713 meV omega= 139.0486 meV
- lambda_tr( 5 )= 0.015641 gamma_tr= 0.052712 meV omega= 139.0486 meV
+ lambda_tr( 5 )= 0.015641 gamma_tr= 0.052713 meV omega= 139.0486 meV
lambda___( 6 )= 0.004501 gamma___= 0.018866 meV omega= 155.0730 meV
lambda_tr( 6 )= 0.004501 gamma_tr= 0.018866 meV omega= 155.0730 meV
lambda___( tot )= 0.037636
lambda_tr( tot )= 0.037636
- Omega( 1 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1097 eV Re[Pi]= 0.410091 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1390 eV Re[Pi]= 5.117547 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1390 eV Re[Pi]= 5.117547 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1551 eV Re[Pi]= 1.966323 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0616 eV Re[Pi]= -0.096342 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0616 eV Re[Pi]= -0.096342 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1097 eV Re[Pi]= -0.410091 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1390 eV Re[Pi]= -5.117547 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1390 eV Re[Pi]= -5.117547 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1551 eV Re[Pi]= -1.966323 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4854,12 +5202,14 @@
lambda___( tot )= 0.001298
lambda_tr( tot )= 0.001298
- Omega( 1 )= 0.0661 eV Re[Pi]= 0.077123 meV Im[Pi]= 0.000003 meV
- Omega( 2 )= 0.0682 eV Re[Pi]= 0.240714 meV Im[Pi]= -0.000006 meV
- Omega( 3 )= 0.1003 eV Re[Pi]= 0.542962 meV Im[Pi]= -0.000010 meV
- Omega( 4 )= 0.1407 eV Re[Pi]= 3.380779 meV Im[Pi]= -0.000044 meV
- Omega( 5 )= 0.1429 eV Re[Pi]= 3.456798 meV Im[Pi]= -0.000217 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 2.142352 meV Im[Pi]= -0.000021 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0661 eV Re[Pi]= -0.077123 meV Im[Pi]= -0.000003 meV
+ Omega( 2 )= 0.0682 eV Re[Pi]= -0.240714 meV Im[Pi]= 0.000006 meV
+ Omega( 3 )= 0.1003 eV Re[Pi]= -0.542962 meV Im[Pi]= 0.000010 meV
+ Omega( 4 )= 0.1407 eV Re[Pi]= -3.380779 meV Im[Pi]= 0.000044 meV
+ Omega( 5 )= 0.1429 eV Re[Pi]= -3.456798 meV Im[Pi]= 0.000217 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -2.142352 meV Im[Pi]= 0.000021 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4881,12 +5231,14 @@
lambda___( tot )= 0.001305
lambda_tr( tot )= 0.001305
- Omega( 1 )= 0.0647 eV Re[Pi]= 0.053468 meV Im[Pi]= -0.000005 meV
- Omega( 2 )= 0.0676 eV Re[Pi]= 0.221857 meV Im[Pi]= -0.000002 meV
- Omega( 3 )= 0.1000 eV Re[Pi]= 0.475714 meV Im[Pi]= -0.000003 meV
- Omega( 4 )= 0.1413 eV Re[Pi]= 3.296640 meV Im[Pi]= -0.000095 meV
- Omega( 5 )= 0.1433 eV Re[Pi]= 3.530932 meV Im[Pi]= -0.000219 meV
- Omega( 6 )= 0.1550 eV Re[Pi]= 2.181719 meV Im[Pi]= -0.000041 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0647 eV Re[Pi]= -0.053468 meV Im[Pi]= 0.000005 meV
+ Omega( 2 )= 0.0676 eV Re[Pi]= -0.221857 meV Im[Pi]= 0.000002 meV
+ Omega( 3 )= 0.1000 eV Re[Pi]= -0.475714 meV Im[Pi]= 0.000003 meV
+ Omega( 4 )= 0.1413 eV Re[Pi]= -3.296640 meV Im[Pi]= 0.000095 meV
+ Omega( 5 )= 0.1433 eV Re[Pi]= -3.530932 meV Im[Pi]= 0.000219 meV
+ Omega( 6 )= 0.1550 eV Re[Pi]= -2.181719 meV Im[Pi]= 0.000041 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4908,12 +5260,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0831 eV Re[Pi]= 0.183742 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0959 eV Re[Pi]= 0.115246 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1161 eV Re[Pi]= 0.467965 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1412 eV Re[Pi]= 1.608991 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1489 eV Re[Pi]= 1.854555 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1555 eV Re[Pi]= 1.230504 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0831 eV Re[Pi]= -0.183742 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0959 eV Re[Pi]= -0.115246 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1161 eV Re[Pi]= -0.467965 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1412 eV Re[Pi]= -1.608991 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1489 eV Re[Pi]= -1.854555 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1555 eV Re[Pi]= -1.230504 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4935,12 +5289,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0943 eV Re[Pi]= 0.152062 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1108 eV Re[Pi]= 0.260190 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1294 eV Re[Pi]= 0.371781 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1336 eV Re[Pi]= 0.725058 meV Im[Pi]= 0.000000 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 1.251525 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1505 eV Re[Pi]= 1.436396 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0943 eV Re[Pi]= -0.152062 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1108 eV Re[Pi]= -0.260190 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1294 eV Re[Pi]= -0.371781 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1336 eV Re[Pi]= -0.725058 meV Im[Pi]= -0.000000 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -1.251525 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1505 eV Re[Pi]= -1.436396 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4962,12 +5318,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0831 eV Re[Pi]= 0.183743 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0959 eV Re[Pi]= 0.115244 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1161 eV Re[Pi]= 0.467964 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1412 eV Re[Pi]= 1.608991 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1489 eV Re[Pi]= 1.854541 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1555 eV Re[Pi]= 1.230508 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0831 eV Re[Pi]= -0.183743 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0959 eV Re[Pi]= -0.115244 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1161 eV Re[Pi]= -0.467964 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1412 eV Re[Pi]= -1.608991 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1489 eV Re[Pi]= -1.854541 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1555 eV Re[Pi]= -1.230508 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -4989,12 +5347,14 @@
lambda___( tot )= 0.001305
lambda_tr( tot )= 0.001305
- Omega( 1 )= 0.0647 eV Re[Pi]= 0.053468 meV Im[Pi]= -0.000005 meV
- Omega( 2 )= 0.0676 eV Re[Pi]= 0.221857 meV Im[Pi]= -0.000002 meV
- Omega( 3 )= 0.1000 eV Re[Pi]= 0.475707 meV Im[Pi]= -0.000003 meV
- Omega( 4 )= 0.1413 eV Re[Pi]= 3.296628 meV Im[Pi]= -0.000095 meV
- Omega( 5 )= 0.1433 eV Re[Pi]= 3.530936 meV Im[Pi]= -0.000219 meV
- Omega( 6 )= 0.1550 eV Re[Pi]= 2.181709 meV Im[Pi]= -0.000041 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0647 eV Re[Pi]= -0.053468 meV Im[Pi]= 0.000005 meV
+ Omega( 2 )= 0.0676 eV Re[Pi]= -0.221857 meV Im[Pi]= 0.000002 meV
+ Omega( 3 )= 0.1000 eV Re[Pi]= -0.475707 meV Im[Pi]= 0.000003 meV
+ Omega( 4 )= 0.1413 eV Re[Pi]= -3.296628 meV Im[Pi]= 0.000095 meV
+ Omega( 5 )= 0.1433 eV Re[Pi]= -3.530936 meV Im[Pi]= 0.000219 meV
+ Omega( 6 )= 0.1550 eV Re[Pi]= -2.181709 meV Im[Pi]= 0.000041 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5016,12 +5376,14 @@
lambda___( tot )= 0.617053
lambda_tr( tot )= 0.617052
- Omega( 1 )= 0.0527 eV Re[Pi]= 0.345873 meV Im[Pi]= 0.014214 meV
- Omega( 2 )= 0.0645 eV Re[Pi]= 0.055450 meV Im[Pi]= -0.000106 meV
- Omega( 3 )= 0.0869 eV Re[Pi]= 0.483248 meV Im[Pi]= -0.000418 meV
- Omega( 4 )= 0.1365 eV Re[Pi]= 5.968592 meV Im[Pi]= -0.179929 meV
- Omega( 5 )= 0.1403 eV Re[Pi]= 5.271980 meV Im[Pi]= -0.236872 meV
- Omega( 6 )= 0.1481 eV Re[Pi]= 2.346303 meV Im[Pi]= -0.000073 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0527 eV Re[Pi]= -0.345873 meV Im[Pi]= -0.014214 meV
+ Omega( 2 )= 0.0645 eV Re[Pi]= -0.055450 meV Im[Pi]= 0.000106 meV
+ Omega( 3 )= 0.0869 eV Re[Pi]= -0.483248 meV Im[Pi]= 0.000418 meV
+ Omega( 4 )= 0.1365 eV Re[Pi]= -5.968592 meV Im[Pi]= 0.179929 meV
+ Omega( 5 )= 0.1403 eV Re[Pi]= -5.271980 meV Im[Pi]= 0.236872 meV
+ Omega( 6 )= 0.1481 eV Re[Pi]= -2.346303 meV Im[Pi]= 0.000073 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5037,18 +5399,20 @@
lambda___( 4 )= 0.945047 gamma___= 2.646296 meV omega= 126.7448 meV
lambda_tr( 4 )= 0.945045 gamma_tr= 2.646292 meV omega= 126.7448 meV
lambda___( 5 )= 0.965978 gamma___= 2.722955 meV omega= 127.1670 meV
- lambda_tr( 5 )= 0.965975 gamma_tr= 2.722948 meV omega= 127.1670 meV
+ lambda_tr( 5 )= 0.965975 gamma_tr= 2.722949 meV omega= 127.1670 meV
lambda___( 6 )= 0.261361 gamma___= 0.831536 meV omega= 135.1007 meV
lambda_tr( 6 )= 0.261361 gamma_tr= 0.831534 meV omega= 135.1007 meV
lambda___( tot )= 2.667017
lambda_tr( tot )= 2.667011
- Omega( 1 )= 0.0336 eV Re[Pi]= 0.218868 meV Im[Pi]= 0.019992 meV
- Omega( 2 )= 0.0352 eV Re[Pi]= 0.209888 meV Im[Pi]= 0.019978 meV
- Omega( 3 )= 0.0594 eV Re[Pi]= 0.526621 meV Im[Pi]= -0.027101 meV
- Omega( 4 )= 0.1267 eV Re[Pi]= 9.253093 meV Im[Pi]= -0.603190 meV
- Omega( 5 )= 0.1272 eV Re[Pi]= 9.277919 meV Im[Pi]= -0.546156 meV
- Omega( 6 )= 0.1351 eV Re[Pi]= 6.053401 meV Im[Pi]= -0.362556 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0336 eV Re[Pi]= -0.218868 meV Im[Pi]= -0.019992 meV
+ Omega( 2 )= 0.0352 eV Re[Pi]= -0.209888 meV Im[Pi]= -0.019978 meV
+ Omega( 3 )= 0.0594 eV Re[Pi]= -0.526621 meV Im[Pi]= 0.027101 meV
+ Omega( 4 )= 0.1267 eV Re[Pi]= -9.253093 meV Im[Pi]= 0.603190 meV
+ Omega( 5 )= 0.1272 eV Re[Pi]= -9.277919 meV Im[Pi]= 0.546156 meV
+ Omega( 6 )= 0.1351 eV Re[Pi]= -6.053401 meV Im[Pi]= 0.362556 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5062,7 +5426,7 @@
lambda___( 3 )= 0.033438 gamma___= 0.044047 meV omega= 86.9311 meV
lambda_tr( 3 )= 0.033438 gamma_tr= 0.044047 meV omega= 86.9311 meV
lambda___( 4 )= 0.252846 gamma___= 0.820848 meV omega= 136.4713 meV
- lambda_tr( 4 )= 0.252846 gamma_tr= 0.820847 meV omega= 136.4713 meV
+ lambda_tr( 4 )= 0.252846 gamma_tr= 0.820848 meV omega= 136.4713 meV
lambda___( 5 )= 0.245542 gamma___= 0.842340 meV omega= 140.2873 meV
lambda_tr( 5 )= 0.245542 gamma_tr= 0.842338 meV omega= 140.2873 meV
lambda___( 6 )= -0.000002 gamma___= -0.000008 meV omega= 148.0963 meV
@@ -5070,12 +5434,14 @@
lambda___( tot )= 0.617053
lambda_tr( tot )= 0.617052
- Omega( 1 )= 0.0527 eV Re[Pi]= 0.345874 meV Im[Pi]= 0.014214 meV
- Omega( 2 )= 0.0645 eV Re[Pi]= 0.055450 meV Im[Pi]= -0.000106 meV
- Omega( 3 )= 0.0869 eV Re[Pi]= 0.483248 meV Im[Pi]= -0.000418 meV
- Omega( 4 )= 0.1365 eV Re[Pi]= 5.968593 meV Im[Pi]= -0.179929 meV
- Omega( 5 )= 0.1403 eV Re[Pi]= 5.271981 meV Im[Pi]= -0.236873 meV
- Omega( 6 )= 0.1481 eV Re[Pi]= 2.346302 meV Im[Pi]= -0.000073 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0527 eV Re[Pi]= -0.345874 meV Im[Pi]= -0.014214 meV
+ Omega( 2 )= 0.0645 eV Re[Pi]= -0.055450 meV Im[Pi]= 0.000106 meV
+ Omega( 3 )= 0.0869 eV Re[Pi]= -0.483248 meV Im[Pi]= 0.000418 meV
+ Omega( 4 )= 0.1365 eV Re[Pi]= -5.968593 meV Im[Pi]= 0.179929 meV
+ Omega( 5 )= 0.1403 eV Re[Pi]= -5.271981 meV Im[Pi]= 0.236873 meV
+ Omega( 6 )= 0.1481 eV Re[Pi]= -2.346302 meV Im[Pi]= 0.000073 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5097,12 +5463,14 @@
lambda___( tot )= 0.000991
lambda_tr( tot )= 0.000991
- Omega( 1 )= 0.0736 eV Re[Pi]= 0.213448 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0861 eV Re[Pi]= 0.106406 meV Im[Pi]= 0.000001 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.390537 meV Im[Pi]= -0.000001 meV
- Omega( 4 )= 0.1410 eV Re[Pi]= 2.999293 meV Im[Pi]= -0.000030 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 2.436834 meV Im[Pi]= -0.000060 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.350442 meV Im[Pi]= -0.000012 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0736 eV Re[Pi]= -0.213448 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0861 eV Re[Pi]= -0.106406 meV Im[Pi]= -0.000001 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.390537 meV Im[Pi]= 0.000001 meV
+ Omega( 4 )= 0.1410 eV Re[Pi]= -2.999293 meV Im[Pi]= 0.000030 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -2.436834 meV Im[Pi]= 0.000060 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.350442 meV Im[Pi]= 0.000012 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5124,12 +5492,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0797 eV Re[Pi]= 0.080940 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0877 eV Re[Pi]= 0.192633 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1267 eV Re[Pi]= 0.402099 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1409 eV Re[Pi]= 2.382202 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1465 eV Re[Pi]= 2.030809 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.206145 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0797 eV Re[Pi]= -0.080940 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0877 eV Re[Pi]= -0.192633 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1267 eV Re[Pi]= -0.402099 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1409 eV Re[Pi]= -2.382202 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1465 eV Re[Pi]= -2.030809 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.206145 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5151,12 +5521,14 @@
lambda___( tot )= 0.001298
lambda_tr( tot )= 0.001298
- Omega( 1 )= 0.0661 eV Re[Pi]= 0.077123 meV Im[Pi]= 0.000003 meV
- Omega( 2 )= 0.0682 eV Re[Pi]= 0.240714 meV Im[Pi]= -0.000006 meV
- Omega( 3 )= 0.1003 eV Re[Pi]= 0.542955 meV Im[Pi]= -0.000010 meV
- Omega( 4 )= 0.1407 eV Re[Pi]= 3.380786 meV Im[Pi]= -0.000044 meV
- Omega( 5 )= 0.1429 eV Re[Pi]= 3.456782 meV Im[Pi]= -0.000217 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 2.142352 meV Im[Pi]= -0.000021 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0661 eV Re[Pi]= -0.077123 meV Im[Pi]= -0.000003 meV
+ Omega( 2 )= 0.0682 eV Re[Pi]= -0.240714 meV Im[Pi]= 0.000006 meV
+ Omega( 3 )= 0.1003 eV Re[Pi]= -0.542955 meV Im[Pi]= 0.000010 meV
+ Omega( 4 )= 0.1407 eV Re[Pi]= -3.380786 meV Im[Pi]= 0.000044 meV
+ Omega( 5 )= 0.1429 eV Re[Pi]= -3.456782 meV Im[Pi]= 0.000217 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -2.142352 meV Im[Pi]= 0.000021 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5178,12 +5550,14 @@
lambda___( tot )= 0.342208
lambda_tr( tot )= 0.342208
- Omega( 1 )= 0.0383 eV Re[Pi]= 0.231117 meV Im[Pi]= -0.004984 meV
- Omega( 2 )= 0.0417 eV Re[Pi]= 0.150732 meV Im[Pi]= -0.001980 meV
- Omega( 3 )= 0.0623 eV Re[Pi]= 0.917444 meV Im[Pi]= -0.005067 meV
- Omega( 4 )= 0.1318 eV Re[Pi]= 6.947277 meV Im[Pi]= -0.042669 meV
- Omega( 5 )= 0.1328 eV Re[Pi]= 6.668878 meV Im[Pi]= -0.043266 meV
- Omega( 6 )= 0.1402 eV Re[Pi]= 6.840955 meV Im[Pi]= -0.038352 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0383 eV Re[Pi]= -0.231117 meV Im[Pi]= 0.004984 meV
+ Omega( 2 )= 0.0417 eV Re[Pi]= -0.150732 meV Im[Pi]= 0.001980 meV
+ Omega( 3 )= 0.0623 eV Re[Pi]= -0.917444 meV Im[Pi]= 0.005067 meV
+ Omega( 4 )= 0.1318 eV Re[Pi]= -6.947277 meV Im[Pi]= 0.042669 meV
+ Omega( 5 )= 0.1328 eV Re[Pi]= -6.668878 meV Im[Pi]= 0.043266 meV
+ Omega( 6 )= 0.1402 eV Re[Pi]= -6.840955 meV Im[Pi]= 0.038352 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5205,12 +5579,14 @@
lambda___( tot )= 0.597828
lambda_tr( tot )= 0.597827
- Omega( 1 )= 0.0486 eV Re[Pi]= 0.503579 meV Im[Pi]= 0.005502 meV
- Omega( 2 )= 0.0621 eV Re[Pi]= 0.117422 meV Im[Pi]= -0.006175 meV
- Omega( 3 )= 0.0863 eV Re[Pi]= 0.500002 meV Im[Pi]= -0.003932 meV
- Omega( 4 )= 0.1381 eV Re[Pi]= 5.691306 meV Im[Pi]= -0.139060 meV
- Omega( 5 )= 0.1410 eV Re[Pi]= 5.022523 meV Im[Pi]= -0.203345 meV
- Omega( 6 )= 0.1487 eV Re[Pi]= 2.308341 meV Im[Pi]= 0.000728 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0486 eV Re[Pi]= -0.503579 meV Im[Pi]= -0.005502 meV
+ Omega( 2 )= 0.0621 eV Re[Pi]= -0.117422 meV Im[Pi]= 0.006175 meV
+ Omega( 3 )= 0.0863 eV Re[Pi]= -0.500002 meV Im[Pi]= 0.003932 meV
+ Omega( 4 )= 0.1381 eV Re[Pi]= -5.691306 meV Im[Pi]= 0.139060 meV
+ Omega( 5 )= 0.1410 eV Re[Pi]= -5.022523 meV Im[Pi]= 0.203345 meV
+ Omega( 6 )= 0.1487 eV Re[Pi]= -2.308341 meV Im[Pi]= -0.000728 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5232,12 +5608,14 @@
lambda___( tot )= 0.001298
lambda_tr( tot )= 0.001298
- Omega( 1 )= 0.0661 eV Re[Pi]= 0.077123 meV Im[Pi]= 0.000003 meV
- Omega( 2 )= 0.0682 eV Re[Pi]= 0.240714 meV Im[Pi]= -0.000006 meV
- Omega( 3 )= 0.1003 eV Re[Pi]= 0.542956 meV Im[Pi]= -0.000010 meV
- Omega( 4 )= 0.1407 eV Re[Pi]= 3.380786 meV Im[Pi]= -0.000044 meV
- Omega( 5 )= 0.1429 eV Re[Pi]= 3.456783 meV Im[Pi]= -0.000217 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 2.142352 meV Im[Pi]= -0.000021 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0661 eV Re[Pi]= -0.077123 meV Im[Pi]= -0.000003 meV
+ Omega( 2 )= 0.0682 eV Re[Pi]= -0.240714 meV Im[Pi]= 0.000006 meV
+ Omega( 3 )= 0.1003 eV Re[Pi]= -0.542956 meV Im[Pi]= 0.000010 meV
+ Omega( 4 )= 0.1407 eV Re[Pi]= -3.380786 meV Im[Pi]= 0.000044 meV
+ Omega( 5 )= 0.1429 eV Re[Pi]= -3.456783 meV Im[Pi]= 0.000217 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -2.142352 meV Im[Pi]= 0.000021 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5259,12 +5637,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0831 eV Re[Pi]= 0.183743 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0959 eV Re[Pi]= 0.115244 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1161 eV Re[Pi]= 0.467966 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1412 eV Re[Pi]= 1.608992 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1489 eV Re[Pi]= 1.854541 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1555 eV Re[Pi]= 1.230508 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0831 eV Re[Pi]= -0.183743 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0959 eV Re[Pi]= -0.115244 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1161 eV Re[Pi]= -0.467966 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1412 eV Re[Pi]= -1.608992 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1489 eV Re[Pi]= -1.854541 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1555 eV Re[Pi]= -1.230508 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5286,12 +5666,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0941 eV Re[Pi]= 0.153546 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1114 eV Re[Pi]= 0.282546 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1281 eV Re[Pi]= 0.345944 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1344 eV Re[Pi]= 0.745502 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1463 eV Re[Pi]= 1.158165 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1509 eV Re[Pi]= 1.488380 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0941 eV Re[Pi]= -0.153546 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1114 eV Re[Pi]= -0.282546 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1281 eV Re[Pi]= -0.345944 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1344 eV Re[Pi]= -0.745502 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1463 eV Re[Pi]= -1.158165 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1509 eV Re[Pi]= -1.488380 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5313,12 +5695,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0852 eV Re[Pi]= 0.180324 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0981 eV Re[Pi]= 0.113231 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.496932 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1398 eV Re[Pi]= 1.607577 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1478 eV Re[Pi]= 1.845526 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1535 eV Re[Pi]= 1.215293 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0852 eV Re[Pi]= -0.180324 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0981 eV Re[Pi]= -0.113231 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.496932 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1398 eV Re[Pi]= -1.607577 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1478 eV Re[Pi]= -1.845526 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1535 eV Re[Pi]= -1.215293 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5340,12 +5724,14 @@
lambda___( tot )= 0.001298
lambda_tr( tot )= 0.001298
- Omega( 1 )= 0.0653 eV Re[Pi]= 0.047233 meV Im[Pi]= 0.000002 meV
- Omega( 2 )= 0.0693 eV Re[Pi]= 0.234799 meV Im[Pi]= -0.000001 meV
- Omega( 3 )= 0.1010 eV Re[Pi]= 0.521784 meV Im[Pi]= -0.000017 meV
- Omega( 4 )= 0.1411 eV Re[Pi]= 3.382069 meV Im[Pi]= -0.000040 meV
- Omega( 5 )= 0.1423 eV Re[Pi]= 3.457451 meV Im[Pi]= -0.000213 meV
- Omega( 6 )= 0.1545 eV Re[Pi]= 2.155109 meV Im[Pi]= -0.000021 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0653 eV Re[Pi]= -0.047233 meV Im[Pi]= -0.000002 meV
+ Omega( 2 )= 0.0693 eV Re[Pi]= -0.234799 meV Im[Pi]= 0.000001 meV
+ Omega( 3 )= 0.1010 eV Re[Pi]= -0.521784 meV Im[Pi]= 0.000017 meV
+ Omega( 4 )= 0.1411 eV Re[Pi]= -3.382069 meV Im[Pi]= 0.000040 meV
+ Omega( 5 )= 0.1423 eV Re[Pi]= -3.457451 meV Im[Pi]= 0.000213 meV
+ Omega( 6 )= 0.1545 eV Re[Pi]= -2.155109 meV Im[Pi]= 0.000021 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5367,12 +5753,14 @@
lambda___( tot )= 0.000992
lambda_tr( tot )= 0.000992
- Omega( 1 )= 0.0762 eV Re[Pi]= 0.215286 meV Im[Pi]= 0.000001 meV
- Omega( 2 )= 0.0888 eV Re[Pi]= 0.103412 meV Im[Pi]= 0.000001 meV
- Omega( 3 )= 0.1199 eV Re[Pi]= 0.436470 meV Im[Pi]= -0.000002 meV
- Omega( 4 )= 0.1397 eV Re[Pi]= 2.998940 meV Im[Pi]= -0.000038 meV
- Omega( 5 )= 0.1451 eV Re[Pi]= 2.325489 meV Im[Pi]= -0.000048 meV
- Omega( 6 )= 0.1521 eV Re[Pi]= 1.452733 meV Im[Pi]= -0.000024 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0762 eV Re[Pi]= -0.215286 meV Im[Pi]= -0.000001 meV
+ Omega( 2 )= 0.0888 eV Re[Pi]= -0.103412 meV Im[Pi]= -0.000001 meV
+ Omega( 3 )= 0.1199 eV Re[Pi]= -0.436470 meV Im[Pi]= 0.000002 meV
+ Omega( 4 )= 0.1397 eV Re[Pi]= -2.998940 meV Im[Pi]= 0.000038 meV
+ Omega( 5 )= 0.1451 eV Re[Pi]= -2.325489 meV Im[Pi]= 0.000048 meV
+ Omega( 6 )= 0.1521 eV Re[Pi]= -1.452733 meV Im[Pi]= 0.000024 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5394,12 +5782,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0852 eV Re[Pi]= 0.180324 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0981 eV Re[Pi]= 0.113230 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.496933 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1398 eV Re[Pi]= 1.607578 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1478 eV Re[Pi]= 1.845526 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1535 eV Re[Pi]= 1.215293 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0852 eV Re[Pi]= -0.180324 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0981 eV Re[Pi]= -0.113230 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.496933 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1398 eV Re[Pi]= -1.607578 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1478 eV Re[Pi]= -1.845526 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1535 eV Re[Pi]= -1.215293 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5421,12 +5811,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0961 eV Re[Pi]= 0.096999 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1073 eV Re[Pi]= 0.165004 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1304 eV Re[Pi]= 0.551015 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1403 eV Re[Pi]= 1.260003 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1432 eV Re[Pi]= 0.857727 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1586 eV Re[Pi]= 1.188402 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0961 eV Re[Pi]= -0.096999 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1073 eV Re[Pi]= -0.165004 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1304 eV Re[Pi]= -0.551015 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1403 eV Re[Pi]= -1.260003 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1432 eV Re[Pi]= -0.857727 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1586 eV Re[Pi]= -1.188402 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5448,12 +5840,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.1113 eV Re[Pi]= 0.174102 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.1118 eV Re[Pi]= 0.152942 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1316 eV Re[Pi]= 0.589243 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1321 eV Re[Pi]= 0.644877 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1480 eV Re[Pi]= 0.943566 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1500 eV Re[Pi]= 0.967086 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.1113 eV Re[Pi]= -0.174102 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.1118 eV Re[Pi]= -0.152942 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1316 eV Re[Pi]= -0.589243 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1321 eV Re[Pi]= -0.644877 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1480 eV Re[Pi]= -0.943566 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1500 eV Re[Pi]= -0.967086 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5475,12 +5869,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0954 eV Re[Pi]= 0.149373 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1124 eV Re[Pi]= 0.284991 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1290 eV Re[Pi]= 0.351829 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1334 eV Re[Pi]= 0.737996 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1453 eV Re[Pi]= 1.182927 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1504 eV Re[Pi]= 1.478509 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0954 eV Re[Pi]= -0.149373 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1124 eV Re[Pi]= -0.284991 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1290 eV Re[Pi]= -0.351829 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1334 eV Re[Pi]= -0.737996 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1453 eV Re[Pi]= -1.182927 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1504 eV Re[Pi]= -1.478509 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5502,12 +5898,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0831 eV Re[Pi]= 0.071479 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0916 eV Re[Pi]= 0.191295 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1283 eV Re[Pi]= 0.481238 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1390 eV Re[Pi]= 2.363552 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1455 eV Re[Pi]= 2.063515 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1507 eV Re[Pi]= 1.103289 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0831 eV Re[Pi]= -0.071479 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0916 eV Re[Pi]= -0.191295 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1283 eV Re[Pi]= -0.481238 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1390 eV Re[Pi]= -2.363552 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1455 eV Re[Pi]= -2.063515 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1507 eV Re[Pi]= -1.103289 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5529,12 +5927,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0831 eV Re[Pi]= 0.071480 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0916 eV Re[Pi]= 0.191291 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1283 eV Re[Pi]= 0.481238 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1390 eV Re[Pi]= 2.363581 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1455 eV Re[Pi]= 2.063487 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1507 eV Re[Pi]= 1.103281 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0831 eV Re[Pi]= -0.071480 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0916 eV Re[Pi]= -0.191291 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1283 eV Re[Pi]= -0.481238 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1390 eV Re[Pi]= -2.363581 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1455 eV Re[Pi]= -2.063487 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1507 eV Re[Pi]= -1.103281 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5556,12 +5956,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0954 eV Re[Pi]= 0.149373 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1124 eV Re[Pi]= 0.284991 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1290 eV Re[Pi]= 0.351829 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1334 eV Re[Pi]= 0.737997 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1453 eV Re[Pi]= 1.182927 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1504 eV Re[Pi]= 1.478509 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0954 eV Re[Pi]= -0.149373 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1124 eV Re[Pi]= -0.284991 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1290 eV Re[Pi]= -0.351829 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1334 eV Re[Pi]= -0.737997 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1453 eV Re[Pi]= -1.182927 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1504 eV Re[Pi]= -1.478509 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5583,12 +5985,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.1113 eV Re[Pi]= 0.174103 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.1118 eV Re[Pi]= 0.152944 meV Im[Pi]= 0.000000 meV
- Omega( 3 )= 0.1316 eV Re[Pi]= 0.589246 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1321 eV Re[Pi]= 0.644880 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1480 eV Re[Pi]= 0.943566 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1500 eV Re[Pi]= 0.967084 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.1113 eV Re[Pi]= -0.174103 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.1118 eV Re[Pi]= -0.152944 meV Im[Pi]= -0.000000 meV
+ Omega( 3 )= 0.1316 eV Re[Pi]= -0.589246 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1321 eV Re[Pi]= -0.644880 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1480 eV Re[Pi]= -0.943566 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1500 eV Re[Pi]= -0.967084 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5610,12 +6014,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0961 eV Re[Pi]= 0.096998 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1073 eV Re[Pi]= 0.165004 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1304 eV Re[Pi]= 0.551010 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1403 eV Re[Pi]= 1.259995 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1432 eV Re[Pi]= 0.857732 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1586 eV Re[Pi]= 1.188403 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0961 eV Re[Pi]= -0.096998 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1073 eV Re[Pi]= -0.165004 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1304 eV Re[Pi]= -0.551010 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1403 eV Re[Pi]= -1.259995 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1432 eV Re[Pi]= -0.857732 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1586 eV Re[Pi]= -1.188403 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5637,12 +6043,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0852 eV Re[Pi]= 0.180322 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0981 eV Re[Pi]= 0.113230 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.496927 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1398 eV Re[Pi]= 1.607573 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1478 eV Re[Pi]= 1.845520 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1535 eV Re[Pi]= 1.215293 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0852 eV Re[Pi]= -0.180322 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0981 eV Re[Pi]= -0.113230 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.496927 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1398 eV Re[Pi]= -1.607573 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1478 eV Re[Pi]= -1.845520 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1535 eV Re[Pi]= -1.215293 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5664,12 +6072,14 @@
lambda___( tot )= 0.000992
lambda_tr( tot )= 0.000992
- Omega( 1 )= 0.0762 eV Re[Pi]= 0.215286 meV Im[Pi]= 0.000001 meV
- Omega( 2 )= 0.0888 eV Re[Pi]= 0.103410 meV Im[Pi]= 0.000001 meV
- Omega( 3 )= 0.1199 eV Re[Pi]= 0.436467 meV Im[Pi]= -0.000002 meV
- Omega( 4 )= 0.1397 eV Re[Pi]= 2.998920 meV Im[Pi]= -0.000038 meV
- Omega( 5 )= 0.1451 eV Re[Pi]= 2.325501 meV Im[Pi]= -0.000048 meV
- Omega( 6 )= 0.1521 eV Re[Pi]= 1.452741 meV Im[Pi]= -0.000024 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0762 eV Re[Pi]= -0.215286 meV Im[Pi]= -0.000001 meV
+ Omega( 2 )= 0.0888 eV Re[Pi]= -0.103410 meV Im[Pi]= -0.000001 meV
+ Omega( 3 )= 0.1199 eV Re[Pi]= -0.436467 meV Im[Pi]= 0.000002 meV
+ Omega( 4 )= 0.1397 eV Re[Pi]= -2.998920 meV Im[Pi]= 0.000038 meV
+ Omega( 5 )= 0.1451 eV Re[Pi]= -2.325501 meV Im[Pi]= 0.000048 meV
+ Omega( 6 )= 0.1521 eV Re[Pi]= -1.452741 meV Im[Pi]= 0.000024 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5691,12 +6101,14 @@
lambda___( tot )= 0.001298
lambda_tr( tot )= 0.001298
- Omega( 1 )= 0.0653 eV Re[Pi]= 0.047234 meV Im[Pi]= 0.000002 meV
- Omega( 2 )= 0.0693 eV Re[Pi]= 0.234799 meV Im[Pi]= -0.000001 meV
- Omega( 3 )= 0.1010 eV Re[Pi]= 0.521779 meV Im[Pi]= -0.000017 meV
- Omega( 4 )= 0.1411 eV Re[Pi]= 3.382077 meV Im[Pi]= -0.000040 meV
- Omega( 5 )= 0.1423 eV Re[Pi]= 3.457432 meV Im[Pi]= -0.000213 meV
- Omega( 6 )= 0.1545 eV Re[Pi]= 2.155115 meV Im[Pi]= -0.000021 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0653 eV Re[Pi]= -0.047234 meV Im[Pi]= -0.000002 meV
+ Omega( 2 )= 0.0693 eV Re[Pi]= -0.234799 meV Im[Pi]= 0.000001 meV
+ Omega( 3 )= 0.1010 eV Re[Pi]= -0.521779 meV Im[Pi]= 0.000017 meV
+ Omega( 4 )= 0.1411 eV Re[Pi]= -3.382077 meV Im[Pi]= 0.000040 meV
+ Omega( 5 )= 0.1423 eV Re[Pi]= -3.457432 meV Im[Pi]= 0.000213 meV
+ Omega( 6 )= 0.1545 eV Re[Pi]= -2.155115 meV Im[Pi]= 0.000021 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5718,12 +6130,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0852 eV Re[Pi]= 0.180322 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0981 eV Re[Pi]= 0.113230 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.496927 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1398 eV Re[Pi]= 1.607573 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1478 eV Re[Pi]= 1.845520 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1535 eV Re[Pi]= 1.215293 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0852 eV Re[Pi]= -0.180322 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0981 eV Re[Pi]= -0.113230 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.496927 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1398 eV Re[Pi]= -1.607573 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1478 eV Re[Pi]= -1.845520 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1535 eV Re[Pi]= -1.215293 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5745,12 +6159,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0941 eV Re[Pi]= 0.153545 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.1114 eV Re[Pi]= 0.282546 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1281 eV Re[Pi]= 0.345943 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1344 eV Re[Pi]= 0.745499 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1463 eV Re[Pi]= 1.158167 meV Im[Pi]= 0.000000 meV
- Omega( 6 )= 0.1509 eV Re[Pi]= 1.488380 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0941 eV Re[Pi]= -0.153545 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.1114 eV Re[Pi]= -0.282546 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1281 eV Re[Pi]= -0.345943 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1344 eV Re[Pi]= -0.745499 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1463 eV Re[Pi]= -1.158167 meV Im[Pi]= -0.000000 meV
+ Omega( 6 )= 0.1509 eV Re[Pi]= -1.488380 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5772,12 +6188,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0831 eV Re[Pi]= 0.183742 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0959 eV Re[Pi]= 0.115246 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1161 eV Re[Pi]= 0.467965 meV Im[Pi]= 0.000000 meV
- Omega( 4 )= 0.1412 eV Re[Pi]= 1.608991 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1489 eV Re[Pi]= 1.854555 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1555 eV Re[Pi]= 1.230504 meV Im[Pi]= -0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0831 eV Re[Pi]= -0.183742 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0959 eV Re[Pi]= -0.115246 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1161 eV Re[Pi]= -0.467965 meV Im[Pi]= -0.000000 meV
+ Omega( 4 )= 0.1412 eV Re[Pi]= -1.608991 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1489 eV Re[Pi]= -1.854555 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1555 eV Re[Pi]= -1.230504 meV Im[Pi]= 0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5799,12 +6217,14 @@
lambda___( tot )= 0.001298
lambda_tr( tot )= 0.001298
- Omega( 1 )= 0.0661 eV Re[Pi]= 0.077123 meV Im[Pi]= 0.000003 meV
- Omega( 2 )= 0.0682 eV Re[Pi]= 0.240714 meV Im[Pi]= -0.000006 meV
- Omega( 3 )= 0.1003 eV Re[Pi]= 0.542962 meV Im[Pi]= -0.000010 meV
- Omega( 4 )= 0.1407 eV Re[Pi]= 3.380779 meV Im[Pi]= -0.000044 meV
- Omega( 5 )= 0.1429 eV Re[Pi]= 3.456798 meV Im[Pi]= -0.000217 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 2.142352 meV Im[Pi]= -0.000021 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0661 eV Re[Pi]= -0.077123 meV Im[Pi]= -0.000003 meV
+ Omega( 2 )= 0.0682 eV Re[Pi]= -0.240714 meV Im[Pi]= 0.000006 meV
+ Omega( 3 )= 0.1003 eV Re[Pi]= -0.542962 meV Im[Pi]= 0.000010 meV
+ Omega( 4 )= 0.1407 eV Re[Pi]= -3.380779 meV Im[Pi]= 0.000044 meV
+ Omega( 5 )= 0.1429 eV Re[Pi]= -3.456798 meV Im[Pi]= 0.000217 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -2.142352 meV Im[Pi]= 0.000021 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5826,12 +6246,14 @@
lambda___( tot )= 0.597826
lambda_tr( tot )= 0.597826
- Omega( 1 )= 0.0486 eV Re[Pi]= 0.503579 meV Im[Pi]= 0.005502 meV
- Omega( 2 )= 0.0621 eV Re[Pi]= 0.117427 meV Im[Pi]= -0.006175 meV
- Omega( 3 )= 0.0863 eV Re[Pi]= 0.500007 meV Im[Pi]= -0.003932 meV
- Omega( 4 )= 0.1381 eV Re[Pi]= 5.691304 meV Im[Pi]= -0.139060 meV
- Omega( 5 )= 0.1410 eV Re[Pi]= 5.022502 meV Im[Pi]= -0.203344 meV
- Omega( 6 )= 0.1487 eV Re[Pi]= 2.308344 meV Im[Pi]= 0.000727 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0486 eV Re[Pi]= -0.503579 meV Im[Pi]= -0.005502 meV
+ Omega( 2 )= 0.0621 eV Re[Pi]= -0.117427 meV Im[Pi]= 0.006175 meV
+ Omega( 3 )= 0.0863 eV Re[Pi]= -0.500007 meV Im[Pi]= 0.003932 meV
+ Omega( 4 )= 0.1381 eV Re[Pi]= -5.691304 meV Im[Pi]= 0.139060 meV
+ Omega( 5 )= 0.1410 eV Re[Pi]= -5.022502 meV Im[Pi]= 0.203344 meV
+ Omega( 6 )= 0.1487 eV Re[Pi]= -2.308344 meV Im[Pi]= -0.000727 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5853,12 +6275,14 @@
lambda___( tot )= 0.342209
lambda_tr( tot )= 0.342209
- Omega( 1 )= 0.0383 eV Re[Pi]= 0.231115 meV Im[Pi]= -0.004984 meV
- Omega( 2 )= 0.0417 eV Re[Pi]= 0.150735 meV Im[Pi]= -0.001980 meV
- Omega( 3 )= 0.0623 eV Re[Pi]= 0.917460 meV Im[Pi]= -0.005067 meV
- Omega( 4 )= 0.1318 eV Re[Pi]= 6.947303 meV Im[Pi]= -0.042669 meV
- Omega( 5 )= 0.1328 eV Re[Pi]= 6.668861 meV Im[Pi]= -0.043266 meV
- Omega( 6 )= 0.1402 eV Re[Pi]= 6.840970 meV Im[Pi]= -0.038352 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0383 eV Re[Pi]= -0.231115 meV Im[Pi]= 0.004984 meV
+ Omega( 2 )= 0.0417 eV Re[Pi]= -0.150735 meV Im[Pi]= 0.001980 meV
+ Omega( 3 )= 0.0623 eV Re[Pi]= -0.917460 meV Im[Pi]= 0.005067 meV
+ Omega( 4 )= 0.1318 eV Re[Pi]= -6.947303 meV Im[Pi]= 0.042669 meV
+ Omega( 5 )= 0.1328 eV Re[Pi]= -6.668861 meV Im[Pi]= 0.043266 meV
+ Omega( 6 )= 0.1402 eV Re[Pi]= -6.840970 meV Im[Pi]= 0.038352 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5880,12 +6304,14 @@
lambda___( tot )= 0.001298
lambda_tr( tot )= 0.001298
- Omega( 1 )= 0.0661 eV Re[Pi]= 0.077123 meV Im[Pi]= 0.000003 meV
- Omega( 2 )= 0.0682 eV Re[Pi]= 0.240714 meV Im[Pi]= -0.000006 meV
- Omega( 3 )= 0.1003 eV Re[Pi]= 0.542962 meV Im[Pi]= -0.000010 meV
- Omega( 4 )= 0.1407 eV Re[Pi]= 3.380779 meV Im[Pi]= -0.000044 meV
- Omega( 5 )= 0.1429 eV Re[Pi]= 3.456798 meV Im[Pi]= -0.000217 meV
- Omega( 6 )= 0.1549 eV Re[Pi]= 2.142352 meV Im[Pi]= -0.000021 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0661 eV Re[Pi]= -0.077123 meV Im[Pi]= -0.000003 meV
+ Omega( 2 )= 0.0682 eV Re[Pi]= -0.240714 meV Im[Pi]= 0.000006 meV
+ Omega( 3 )= 0.1003 eV Re[Pi]= -0.542962 meV Im[Pi]= 0.000010 meV
+ Omega( 4 )= 0.1407 eV Re[Pi]= -3.380779 meV Im[Pi]= 0.000044 meV
+ Omega( 5 )= 0.1429 eV Re[Pi]= -3.456798 meV Im[Pi]= 0.000217 meV
+ Omega( 6 )= 0.1549 eV Re[Pi]= -2.142352 meV Im[Pi]= 0.000021 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5907,12 +6333,14 @@
lambda___( tot )= 0.000000
lambda_tr( tot )= 0.000000
- Omega( 1 )= 0.0797 eV Re[Pi]= 0.080939 meV Im[Pi]= -0.000000 meV
- Omega( 2 )= 0.0877 eV Re[Pi]= 0.192632 meV Im[Pi]= -0.000000 meV
- Omega( 3 )= 0.1267 eV Re[Pi]= 0.402104 meV Im[Pi]= -0.000000 meV
- Omega( 4 )= 0.1409 eV Re[Pi]= 2.382174 meV Im[Pi]= -0.000000 meV
- Omega( 5 )= 0.1465 eV Re[Pi]= 2.030834 meV Im[Pi]= -0.000000 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.206148 meV Im[Pi]= 0.000000 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0797 eV Re[Pi]= -0.080939 meV Im[Pi]= 0.000000 meV
+ Omega( 2 )= 0.0877 eV Re[Pi]= -0.192632 meV Im[Pi]= 0.000000 meV
+ Omega( 3 )= 0.1267 eV Re[Pi]= -0.402104 meV Im[Pi]= 0.000000 meV
+ Omega( 4 )= 0.1409 eV Re[Pi]= -2.382174 meV Im[Pi]= 0.000000 meV
+ Omega( 5 )= 0.1465 eV Re[Pi]= -2.030834 meV Im[Pi]= 0.000000 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.206148 meV Im[Pi]= -0.000000 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5934,12 +6362,14 @@
lambda___( tot )= 0.000991
lambda_tr( tot )= 0.000991
- Omega( 1 )= 0.0736 eV Re[Pi]= 0.213448 meV Im[Pi]= 0.000000 meV
- Omega( 2 )= 0.0861 eV Re[Pi]= 0.106405 meV Im[Pi]= 0.000001 meV
- Omega( 3 )= 0.1184 eV Re[Pi]= 0.390536 meV Im[Pi]= -0.000001 meV
- Omega( 4 )= 0.1410 eV Re[Pi]= 2.999271 meV Im[Pi]= -0.000030 meV
- Omega( 5 )= 0.1467 eV Re[Pi]= 2.436851 meV Im[Pi]= -0.000060 meV
- Omega( 6 )= 0.1533 eV Re[Pi]= 1.350450 meV Im[Pi]= -0.000012 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0736 eV Re[Pi]= -0.213448 meV Im[Pi]= -0.000000 meV
+ Omega( 2 )= 0.0861 eV Re[Pi]= -0.106405 meV Im[Pi]= -0.000001 meV
+ Omega( 3 )= 0.1184 eV Re[Pi]= -0.390536 meV Im[Pi]= 0.000001 meV
+ Omega( 4 )= 0.1410 eV Re[Pi]= -2.999271 meV Im[Pi]= 0.000030 meV
+ Omega( 5 )= 0.1467 eV Re[Pi]= -2.436851 meV Im[Pi]= 0.000060 meV
+ Omega( 6 )= 0.1533 eV Re[Pi]= -1.350450 meV Im[Pi]= 0.000012 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5961,12 +6391,14 @@
lambda___( tot )= 0.617054
lambda_tr( tot )= 0.617053
- Omega( 1 )= 0.0527 eV Re[Pi]= 0.345873 meV Im[Pi]= 0.014214 meV
- Omega( 2 )= 0.0645 eV Re[Pi]= 0.055450 meV Im[Pi]= -0.000106 meV
- Omega( 3 )= 0.0869 eV Re[Pi]= 0.483248 meV Im[Pi]= -0.000418 meV
- Omega( 4 )= 0.1365 eV Re[Pi]= 5.968591 meV Im[Pi]= -0.179928 meV
- Omega( 5 )= 0.1403 eV Re[Pi]= 5.271980 meV Im[Pi]= -0.236872 meV
- Omega( 6 )= 0.1481 eV Re[Pi]= 2.346303 meV Im[Pi]= -0.000073 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0527 eV Re[Pi]= -0.345873 meV Im[Pi]= -0.014214 meV
+ Omega( 2 )= 0.0645 eV Re[Pi]= -0.055450 meV Im[Pi]= 0.000106 meV
+ Omega( 3 )= 0.0869 eV Re[Pi]= -0.483248 meV Im[Pi]= 0.000418 meV
+ Omega( 4 )= 0.1365 eV Re[Pi]= -5.968591 meV Im[Pi]= 0.179928 meV
+ Omega( 5 )= 0.1403 eV Re[Pi]= -5.271980 meV Im[Pi]= 0.236872 meV
+ Omega( 6 )= 0.1481 eV Re[Pi]= -2.346303 meV Im[Pi]= 0.000073 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
@@ -5980,26 +6412,28 @@
lambda___( 3 )= 0.104383 gamma___= 0.064167 meV omega= 59.3850 meV
lambda_tr( 3 )= 0.104383 gamma_tr= 0.064166 meV omega= 59.3850 meV
lambda___( 4 )= 0.945047 gamma___= 2.646296 meV omega= 126.7448 meV
- lambda_tr( 4 )= 0.945044 gamma_tr= 2.646289 meV omega= 126.7448 meV
+ lambda_tr( 4 )= 0.945044 gamma_tr= 2.646288 meV omega= 126.7448 meV
lambda___( 5 )= 0.965979 gamma___= 2.722959 meV omega= 127.1670 meV
lambda_tr( 5 )= 0.965977 gamma_tr= 2.722953 meV omega= 127.1670 meV
lambda___( 6 )= 0.261361 gamma___= 0.831535 meV omega= 135.1007 meV
- lambda_tr( 6 )= 0.261361 gamma_tr= 0.831534 meV omega= 135.1007 meV
+ lambda_tr( 6 )= 0.261361 gamma_tr= 0.831535 meV omega= 135.1007 meV
lambda___( tot )= 2.667017
lambda_tr( tot )= 2.667011
- Omega( 1 )= 0.0336 eV Re[Pi]= 0.218866 meV Im[Pi]= 0.019991 meV
- Omega( 2 )= 0.0352 eV Re[Pi]= 0.209888 meV Im[Pi]= 0.019979 meV
- Omega( 3 )= 0.0594 eV Re[Pi]= 0.526613 meV Im[Pi]= -0.027101 meV
- Omega( 4 )= 0.1267 eV Re[Pi]= 9.253107 meV Im[Pi]= -0.603196 meV
- Omega( 5 )= 0.1272 eV Re[Pi]= 9.277935 meV Im[Pi]= -0.546157 meV
- Omega( 6 )= 0.1351 eV Re[Pi]= 6.053387 meV Im[Pi]= -0.362553 meV
+
+ Real and Imaginary part of the phonon self-energy (omega=0) without gamma0.
+ Omega( 1 )= 0.0336 eV Re[Pi]= -0.218866 meV Im[Pi]= -0.019991 meV
+ Omega( 2 )= 0.0352 eV Re[Pi]= -0.209888 meV Im[Pi]= -0.019979 meV
+ Omega( 3 )= 0.0594 eV Re[Pi]= -0.526613 meV Im[Pi]= 0.027101 meV
+ Omega( 4 )= 0.1267 eV Re[Pi]= -9.253107 meV Im[Pi]= 0.603196 meV
+ Omega( 5 )= 0.1272 eV Re[Pi]= -9.277935 meV Im[Pi]= 0.546157 meV
+ Omega( 6 )= 0.1351 eV Re[Pi]= -6.053387 meV Im[Pi]= 0.362553 meV
Number of (k,k+q) pairs on the Fermi surface: 216 out of 216
-------------------------------------------------------------------
===================================================================
Memory usage: VmHWM = 17Mb
- VmPeak = 291Mb
+ VmPeak = 290Mb
===================================================================
@@ -6011,17 +6445,17 @@
Electron-Phonon interpolation
- ephwann : 3.66s CPU 3.70s WALL ( 1 calls)
- ep-interp : 3.61s CPU 3.64s WALL ( 216 calls)
- PH SELF-ENER : 0.24s CPU 0.24s WALL ( 216 calls)
+ ephwann : 3.42s CPU 3.49s WALL ( 1 calls)
+ ep-interp : 3.35s CPU 3.43s WALL ( 216 calls)
+ PH SELF-ENER : 0.23s CPU 0.23s WALL ( 216 calls)
- DynW2B : 0.01s CPU 0.01s WALL ( 216 calls)
- HamW2B : 0.42s CPU 0.43s WALL ( 93744 calls)
- ephW2Bp : 0.05s CPU 0.05s WALL ( 216 calls)
+ DynW2B : 0.00s CPU 0.00s WALL ( 216 calls)
+ HamW2B : 0.41s CPU 0.42s WALL ( 93960 calls)
+ ephW2Bp : 0.04s CPU 0.04s WALL ( 216 calls)
Total program execution
- EPW : 3.66s CPU 3.70s WALL
+ EPW : 3.42s CPU 3.49s WALL
Please consider citing:
diff --git a/test-suite/epw_base/pp.in b/test-suite/epw_base/pp.in
index c6caefcc359fe3b3051831d152add6d38d27d3c4..77f0608592eb79f58644ff1fbb0efe8572bbfd56 100644
--- a/test-suite/epw_base/pp.in
+++ b/test-suite/epw_base/pp.in
@@ -1,2 +1 @@
diam
-n
diff --git a/test-suite/epw_mob/pp.in b/test-suite/epw_mob/pp.in
index 384ad09f384f1d702cb867dd43ccc9eceb7672bd..d5812320405d6d922e7c1448f1e19936b8fbe09b 100644
--- a/test-suite/epw_mob/pp.in
+++ b/test-suite/epw_mob/pp.in
@@ -1,2 +1 @@
si
-n
diff --git a/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw1.in.args=3 b/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw1.in.args=3
index 9878622eac3822e77f45a7d1b8f562d8b010c779..10224c8e00911587a49744467ec73a2924db7d57 100644
--- a/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw1.in.args=3
+++ b/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw1.in.args=3
@@ -27,7 +27,7 @@
Comput. Phys. Commun. 209, 116 (2016)
- Program EPW v.5.0.0 starts on 16Oct2018 at 14:25: 8
+ Program EPW v.5.1.0 starts on 25Mar2019 at 11:25:35
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
@@ -65,9 +65,6 @@
number of atomic types = 1
kinetic-energy cut-off = 10.0000 Ry
charge density cut-off = 40.0000 Ry
- convergence threshold = 0.0E+00
- beta = 0.0000
- number of iterations used = 0
Exchange-correlation = PBE ( 1 4 3 4 0 0)
@@ -90,8 +87,8 @@
Cartesian axes
site n. atom mass positions (a_0 units)
- 1 Si 28.0879 tau( 1) = ( 0.00000 0.00000 0.00000 )
- 2 Si 28.0879 tau( 2) = ( 0.25000 0.25000 0.25000 )
+ 1 Si 28.0855 tau( 1) = ( 0.00000 0.00000 0.00000 )
+ 2 Si 28.0855 tau( 2) = ( 0.25000 0.25000 0.25000 )
49 Sym.Ops. (with q -> -q+G )
@@ -317,7 +314,7 @@
k( 216) = ( -0.8333333 0.8333333 0.8333333), wk = 0.0092593
PseudoPot. # 1 for Si read from file:
- ./Si_r.upf
+ ../../pseudo/Si_r.upf
MD5 check sum: c84abb4b0aac9c93a8e9f74896432a0a
Pseudo is Norm-conserving + core correction, Zval = 4.0
Generated using ONCVPSP code by D. R. Hamann
@@ -328,9 +325,9 @@
l(4) = 1
l(5) = 2
l(6) = 2
- EPW : 0.23s CPU 0.24s WALL
+ EPW : 0.24s CPU 0.24s WALL
- EPW : 0.31s CPU 0.32s WALL
+ EPW : 0.31s CPU 0.31s WALL
No wavefunction gauge setting applied
-------------------------------------------------------------------
@@ -808,38 +805,38 @@
Wannier Function centers (cartesian, alat) and spreads (ang):
- ( 0.04064 0.04064 0.04064) : 2.52565
- ( 0.04064 -0.04064 -0.04064) : 2.52565
- ( -0.04064 0.04064 -0.04064) : 2.52565
- ( -0.04064 -0.04064 0.04064) : 2.52565
- ( 0.33426 0.33426 0.33426) : 2.12920
- ( 0.33426 0.16574 0.16574) : 2.12920
- ( 0.16574 0.33426 0.16574) : 2.12920
- ( 0.16574 0.16574 0.33426) : 2.12920
+ ( 0.04064 0.04064 0.04064) : 2.52567
+ ( 0.04064 -0.04064 -0.04064) : 2.52567
+ ( -0.04064 0.04064 -0.04064) : 2.52567
+ ( -0.04064 -0.04064 0.04064) : 2.52567
+ ( 0.33426 0.33426 0.33426) : 2.12918
+ ( 0.33426 0.16574 0.16574) : 2.12918
+ ( 0.16574 0.33426 0.16574) : 2.12918
+ ( 0.16574 0.16574 0.33426) : 2.12918
-------------------------------------------------------------------
- WANNIER : 9.52s CPU 9.58s WALL ( 1 calls)
+ WANNIER : 11.15s CPU 11.20s WALL ( 1 calls)
-------------------------------------------------------------------
Dipole matrix elements calculated
- Calculating kmap and kgmap
- Progress kmap: ########################################
+ Calculating kgmap
+
Progress kgmap: ########################################
- kmaps : 0.05s CPU 0.05s WALL ( 1 calls)
+ kmaps : 0.04s CPU 0.05s WALL ( 1 calls)
Reading interatomic force constants
Read Z* and epsilon
- IFC last -0.0026126
+ IFC last -0.0026119
Norm of the difference between old and new effective charges: 0.0000000
Norm of the difference between old and new force-constants: 0.0000020
Imposed crystal ASR
Finished reading ifcs
- Symmetries of bravais lattice: 48
+ Symmetries of Bravais lattice: 48
Symmetries of crystal: 48
@@ -922,7 +919,7 @@
Reading interatomic force constants
Read Z* and epsilon
- IFC last -0.0026126
+ IFC last -0.0026119
Norm of the difference between old and new effective charges: 0.0000000
Norm of the difference between old and new force-constants: 0.0000020
Imposed crystal ASR
@@ -933,13 +930,13 @@
Finished reading Wann rep data from file
===================================================================
- Memory usage: VmHWM = 57Mb
- VmPeak = 325Mb
+ Memory usage: VmHWM = 64Mb
+ VmPeak = 332Mb
===================================================================
Using q-mesh file: ./LGX.txt
Size of q point mesh for interpolation: 100
- Using k-mesh file: ./LGX.txt
+ Using k-mesh file: ./LGX.txt
Size of k point mesh for interpolation: 200
Max number of k points per pool: 200
@@ -956,40 +953,41 @@
Number of ep-matrix elements per pool : 2400 ~= 18.75 Kb (@ 8 bytes/ DP)
+ Number selected, total 100 100
We only need to compute 100 q-points
Progression iq (fine) = 100/ 100
===================================================================
- Memory usage: VmHWM = 57Mb
- VmPeak = 325Mb
+ Memory usage: VmHWM = 64Mb
+ VmPeak = 332Mb
===================================================================
Unfolding on the coarse grid
- elphon_wrap : 15.45s CPU 15.92s WALL ( 1 calls)
+ elphon_wrap : 14.34s CPU 14.74s WALL ( 1 calls)
INITIALIZATION:
set_drhoc : 0.17s CPU 0.17s WALL ( 9 calls)
- init_vloc : 0.01s CPU 0.01s WALL ( 10 calls)
- init_us_1 : 0.08s CPU 0.08s WALL ( 10 calls)
+ init_vloc : 0.00s CPU 0.00s WALL ( 1 calls)
+ init_us_1 : 0.01s CPU 0.01s WALL ( 1 calls)
Electron-Phonon interpolation
- ephwann : 2.59s CPU 2.97s WALL ( 1 calls)
- ep-interp : 1.50s CPU 1.82s WALL ( 100 calls)
+ ephwann : 2.59s CPU 2.95s WALL ( 1 calls)
+ ep-interp : 1.54s CPU 1.85s WALL ( 100 calls)
Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls)
Ham: step 2 : 0.03s CPU 0.03s WALL ( 1 calls)
ep: step 1 : 0.01s CPU 0.01s WALL ( 48 calls)
- ep: step 2 : 0.46s CPU 0.47s WALL ( 48 calls)
+ ep: step 2 : 0.47s CPU 0.47s WALL ( 48 calls)
DynW2B : 0.00s CPU 0.00s WALL ( 100 calls)
- HamW2B : 0.45s CPU 0.46s WALL ( 21866 calls)
- ephW2Bp : 0.24s CPU 0.53s WALL ( 100 calls)
+ HamW2B : 0.44s CPU 0.45s WALL ( 20791 calls)
+ ephW2Bp : 0.22s CPU 0.51s WALL ( 100 calls)
Total program execution
- EPW : 27.88s CPU 28.78s WALL
+ EPW : 28.39s CPU 29.20s WALL
Please consider citing:
diff --git a/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw2.in.args=3 b/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw2.in.args=3
index 4a7f252935a27557b5c4bc726f4c8a365d2e3e47..cf0f7b237e1d257ed08f502d7d6354c9101aaf51 100644
--- a/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw2.in.args=3
+++ b/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw2.in.args=3
@@ -27,7 +27,7 @@
Comput. Phys. Commun. 209, 116 (2016)
- Program EPW v.5.0.0 starts on 4Feb2019 at 17:27:46
+ Program EPW v.5.1.0 starts on 25Mar2019 at 11:26: 4
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
@@ -116,7 +116,7 @@
Reading interatomic force constants
Read Z* and epsilon
- IFC last -0.0026114
+ IFC last -0.0026119
Norm of the difference between old and new effective charges: 0.0000000
Norm of the difference between old and new force-constants: 0.0000020
Imposed crystal ASR
@@ -164,19 +164,19 @@
Temperature 400.000 K
Valence band maximum = 6.255486 eV
- Conduction band minimum = 7.660800 eV
+ Conduction band minimum = 7.660801 eV
Mobility VB Fermi level 6.861901 eV
Valence band maximum = 6.255486 eV
- Conduction band minimum = 7.660800 eV
- Mobility CB Fermi level 7.030496 eV
+ Conduction band minimum = 7.660801 eV
+ Mobility CB Fermi level 7.030497 eV
Temperature 500.000 K
Valence band maximum = 6.255486 eV
- Conduction band minimum = 7.660800 eV
+ Conduction band minimum = 7.660801 eV
Mobility VB Fermi level 7.013557 eV
Valence band maximum = 6.255486 eV
- Conduction band minimum = 7.660800 eV
- Mobility CB Fermi level 6.872899 eV
+ Conduction band minimum = 7.660801 eV
+ Mobility CB Fermi level 6.872900 eV
===================================================================
Scattering rate for IBTE
@@ -195,12 +195,12 @@
Progression iq (fine) = 200/ 343
Progression iq (fine) = 250/ 343
Progression iq (fine) = 300/ 343
- 400.000 7.0305 0.100000E+14
- 500.000 6.8729 0.999998E+13
+ 400.000 7.0305 0.999999E+13
+ 500.000 6.8729 0.999997E+13
epmatkqread automatically changed to .true. as all scattering have been computed.
- Number of elements per core 15112
+ Number of elements per core 15110
Average over degenerate eigenstates is performed
=======================================================================
@@ -208,16 +208,16 @@
[K] [eV] [cm^-3] [e per cell] [cm^2/Vs]
=======================================================================
- 400.000 7.0305 0.10000E+14 0.62414E-03 0.503302E+02 x-axis
- 0.503302E+02 y-axis
- 0.503303E+02 z-axis
- 0.503302E+02 avg
- 0.885584E+01 off-diag
- 500.000 6.8729 0.10000E+14 -0.11495E-02 0.341907E+02 x-axis
- 0.341907E+02 y-axis
- 0.341907E+02 z-axis
- 0.341907E+02 avg
- 0.600755E+01 off-diag
+ 400.000 7.0305 0.10000E+14 0.13107E-10 0.503300E+02 x-axis
+ 0.503300E+02 y-axis
+ 0.503300E+02 z-axis
+ 0.503300E+02 avg
+ 0.885592E+01 off-diag
+ 500.000 6.8729 0.10000E+14 0.12893E-10 0.341905E+02 x-axis
+ 0.341905E+02 y-axis
+ 0.341905E+02 z-axis
+ 0.341905E+02 avg
+ 0.600760E+01 off-diag
===================================================================
Start solving iterative Boltzmann Transport Equation
@@ -232,18 +232,18 @@
[K] [eV] [cm^-3] [e per cell] [cm^2/Vs]
=======================================================================
- 400.000 7.0305 0.10000E+14 0.78497E-05 0.424728E+02 x-axis
- 0.424728E+02 y-axis
- 0.424728E+02 z-axis
- 0.424728E+02 avg
- 0.613679E+01 off-diag
- 500.000 6.8729 0.10000E+14 -0.34031E-02 0.289239E+02 x-axis
+ 400.000 7.0305 0.10000E+14 0.59295E-10 0.424730E+02 x-axis
+ 0.424729E+02 y-axis
+ 0.424730E+02 z-axis
+ 0.424730E+02 avg
+ 0.613686E+01 off-diag
+ 500.000 6.8729 0.10000E+14 0.49062E-10 0.289239E+02 x-axis
0.289239E+02 y-axis
0.289239E+02 z-axis
0.289239E+02 avg
- 0.415381E+01 off-diag
+ 0.415393E+01 off-diag
- 0.424728E+02 Err
+ 0.424730E+02 Err
Iteration number: 2
@@ -253,18 +253,18 @@
[K] [eV] [cm^-3] [e per cell] [cm^2/Vs]
=======================================================================
- 400.000 7.0305 0.10000E+14 -0.43395E-04 0.437632E+02 x-axis
- 0.437632E+02 y-axis
- 0.437632E+02 z-axis
- 0.437632E+02 avg
- 0.679060E+01 off-diag
- 500.000 6.8729 0.10000E+14 -0.58407E-02 0.297807E+02 x-axis
- 0.297807E+02 y-axis
- 0.297807E+02 z-axis
- 0.297807E+02 avg
- 0.459713E+01 off-diag
+ 400.000 7.0305 0.10000E+14 0.99019E-10 0.437633E+02 x-axis
+ 0.437633E+02 y-axis
+ 0.437633E+02 z-axis
+ 0.437633E+02 avg
+ 0.679066E+01 off-diag
+ 500.000 6.8729 0.10000E+14 0.80709E-10 0.297806E+02 x-axis
+ 0.297806E+02 y-axis
+ 0.297806E+02 z-axis
+ 0.297806E+02 avg
+ 0.459724E+01 off-diag
- 0.129044E+01 Err
+ 0.129035E+01 Err
Iteration number: 3
@@ -274,18 +274,18 @@
[K] [eV] [cm^-3] [e per cell] [cm^2/Vs]
=======================================================================
- 400.000 7.0305 0.10000E+14 0.19053E-04 0.435414E+02 x-axis
- 0.435414E+02 y-axis
- 0.435414E+02 z-axis
- 0.435414E+02 avg
- 0.664766E+01 off-diag
- 500.000 6.8729 0.10000E+14 -0.81911E-02 0.296344E+02 x-axis
- 0.296344E+02 y-axis
- 0.296344E+02 z-axis
- 0.296344E+02 avg
- 0.450093E+01 off-diag
+ 400.000 7.0305 0.10000E+14 0.14001E-09 0.435415E+02 x-axis
+ 0.435415E+02 y-axis
+ 0.435415E+02 z-axis
+ 0.435415E+02 avg
+ 0.664773E+01 off-diag
+ 500.000 6.8729 0.10000E+14 0.11323E-09 0.296343E+02 x-axis
+ 0.296343E+02 y-axis
+ 0.296343E+02 z-axis
+ 0.296343E+02 avg
+ 0.450104E+01 off-diag
- 0.221811E+00 Err
+ 0.221793E+00 Err
Iteration number: 4
@@ -302,16 +302,16 @@
Electron-Phonon interpolation
- ephwann : 28.50s CPU 30.14s WALL ( 1 calls)
- ep-interp : 28.24s CPU 29.88s WALL ( 343 calls)
+ ephwann : 26.58s CPU 27.91s WALL ( 1 calls)
+ ep-interp : 26.32s CPU 27.65s WALL ( 343 calls)
DynW2B : 0.01s CPU 0.01s WALL ( 343 calls)
- HamW2B : 5.30s CPU 5.40s WALL ( 236327 calls)
- ephW2Bp : 0.90s CPU 2.05s WALL ( 343 calls)
+ HamW2B : 5.25s CPU 5.36s WALL ( 236327 calls)
+ ephW2Bp : 0.82s CPU 1.73s WALL ( 343 calls)
Total program execution
- EPW : 28.50s CPU 30.15s WALL
+ EPW : 26.58s CPU 27.91s WALL
Please consider citing:
diff --git a/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw3.in.args=3 b/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw3.in.args=3
index c0937e114c6e7f0ae2c7bef922a9de0bcc5e8898..33e1f3f5dc7732d981dfe02d991369f73ef8dc32 100644
--- a/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw3.in.args=3
+++ b/test-suite/epw_mob_ibte/benchmark.out.git.inp=epw3.in.args=3
@@ -27,7 +27,7 @@
Comput. Phys. Commun. 209, 116 (2016)
- Program EPW v.5.0.0 starts on 4Feb2019 at 17:28:16
+ Program EPW v.5.1.0 starts on 25Mar2019 at 11:26:32
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
@@ -116,7 +116,7 @@
Reading interatomic force constants
Read Z* and epsilon
- IFC last -0.0026114
+ IFC last -0.0026119
Norm of the difference between old and new effective charges: 0.0000000
Norm of the difference between old and new force-constants: 0.0000020
Imposed crystal ASR
@@ -151,7 +151,7 @@
Number of ep-matrix elements per pool : 74088 ~= 578.81 Kb (@ 8 bytes/ DP)
- Number of elements per core 12954
+ Number of elements per core 12956
Average over degenerate eigenstates is performed
=======================================================================
@@ -159,16 +159,16 @@
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
=======================================================================
- 400.000 6.8619 0.10000E+14 -0.10477E-02 0.645429E-02 x-axis
- 0.604609E-02 y-axis
- 0.640811E-02 z-axis
- 0.630283E-02 avg
- 0.123986E-02 off-diag
- 500.000 7.0136 0.10000E+14 -0.85381E-03 0.369117E-01 x-axis
- 0.345039E-01 y-axis
- 0.366393E-01 z-axis
- 0.360183E-01 avg
- 0.689981E-02 off-diag
+ 400.000 6.8619 0.10000E+14 0.15569E-12 0.661782E-02 x-axis
+ 0.646817E-02 y-axis
+ 0.604498E-02 z-axis
+ 0.637699E-02 avg
+ 0.120281E-02 off-diag
+ 500.000 7.0136 0.10000E+14 0.10402E-12 0.378762E-01 x-axis
+ 0.369935E-01 y-axis
+ 0.344973E-01 z-axis
+ 0.364557E-01 avg
+ 0.668127E-02 off-diag
===================================================================
Start solving iterative Boltzmann Transport Equation
@@ -183,18 +183,18 @@
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
=======================================================================
- 400.000 6.8619 0.10000E+14 -0.36873E-02 0.712541E-02 x-axis
- 0.645458E-02 y-axis
- 0.704945E-02 z-axis
- 0.687648E-02 avg
- 0.112611E-02 off-diag
- 500.000 7.0136 0.10000E+14 -0.30259E-02 0.409393E-01 x-axis
- 0.370176E-01 y-axis
- 0.404953E-01 z-axis
- 0.394841E-01 avg
- 0.635892E-02 off-diag
+ 400.000 6.8619 0.10000E+14 0.31031E-12 0.744691E-02 x-axis
+ 0.720537E-02 y-axis
+ 0.652235E-02 z-axis
+ 0.705821E-02 avg
+ 0.119852E-02 off-diag
+ 500.000 7.0136 0.10000E+14 0.20141E-12 0.427570E-01 x-axis
+ 0.413398E-01 y-axis
+ 0.373320E-01 z-axis
+ 0.404763E-01 avg
+ 0.662355E-02 off-diag
- 0.394841E-01 Err
+ 0.404763E-01 Err
Iteration number: 2
@@ -204,18 +204,18 @@
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
=======================================================================
- 400.000 6.8619 0.10000E+14 -0.63873E-02 0.731226E-02 x-axis
- 0.658337E-02 y-axis
- 0.722937E-02 z-axis
- 0.704167E-02 avg
- 0.114523E-02 off-diag
- 500.000 7.0136 0.10000E+14 -0.52318E-02 0.420729E-01 x-axis
- 0.378142E-01 y-axis
- 0.415886E-01 z-axis
- 0.404919E-01 avg
- 0.650415E-02 off-diag
+ 400.000 6.8619 0.10000E+14 0.46470E-12 0.766468E-02 x-axis
+ 0.740205E-02 y-axis
+ 0.665937E-02 z-axis
+ 0.724203E-02 avg
+ 0.122535E-02 off-diag
+ 500.000 7.0136 0.10000E+14 0.29770E-12 0.440643E-01 x-axis
+ 0.425235E-01 y-axis
+ 0.381661E-01 z-axis
+ 0.415846E-01 avg
+ 0.679623E-02 off-diag
- 0.100781E-02 Err
+ 0.110837E-02 Err
Iteration number: 3
@@ -225,18 +225,18 @@
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
=======================================================================
- 400.000 6.8619 0.10000E+14 -0.94420E-02 0.734367E-02 x-axis
- 0.660763E-02 y-axis
- 0.725976E-02 z-axis
- 0.707036E-02 avg
- 0.114800E-02 off-diag
- 500.000 7.0136 0.10000E+14 -0.77442E-02 0.422701E-01 x-axis
- 0.379682E-01 y-axis
- 0.417797E-01 z-axis
- 0.406727E-01 avg
- 0.652873E-02 off-diag
+ 400.000 6.8619 0.10000E+14 0.61889E-12 0.770987E-02 x-axis
+ 0.744399E-02 y-axis
+ 0.669211E-02 z-axis
+ 0.728199E-02 avg
+ 0.123902E-02 off-diag
+ 500.000 7.0136 0.10000E+14 0.39270E-12 0.443331E-01 x-axis
+ 0.427728E-01 y-axis
+ 0.383604E-01 z-axis
+ 0.418221E-01 avg
+ 0.687135E-02 off-diag
- 0.180780E-03 Err
+ 0.237433E-03 Err
Iteration number: 4
@@ -246,18 +246,18 @@
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
=======================================================================
- 400.000 6.8619 0.10000E+14 -0.12410E-01 0.735295E-02 x-axis
- 0.661568E-02 y-axis
- 0.726883E-02 z-axis
- 0.707915E-02 avg
- 0.115151E-02 off-diag
- 500.000 7.0136 0.10000E+14 -0.10176E-01 0.423299E-01 x-axis
- 0.380206E-01 y-axis
- 0.418382E-01 z-axis
- 0.407296E-01 avg
- 0.655320E-02 off-diag
+ 400.000 6.8619 0.10000E+14 0.77307E-12 0.772017E-02 x-axis
+ 0.745374E-02 y-axis
+ 0.670031E-02 z-axis
+ 0.729140E-02 avg
+ 0.124278E-02 off-diag
+ 500.000 7.0136 0.10000E+14 0.48781E-12 0.443987E-01 x-axis
+ 0.428351E-01 y-axis
+ 0.384131E-01 z-axis
+ 0.418823E-01 avg
+ 0.689645E-02 off-diag
- 0.569005E-04 Err
+ 0.602412E-04 Err
Iteration number: 5
@@ -274,13 +274,13 @@
Electron-Phonon interpolation
- ephwann : 0.23s CPU 0.24s WALL ( 1 calls)
+ ephwann : 0.22s CPU 0.23s WALL ( 1 calls)
- HamW2B : 0.01s CPU 0.02s WALL ( 686 calls)
+ HamW2B : 0.02s CPU 0.02s WALL ( 686 calls)
Total program execution
- EPW : 0.23s CPU 0.24s WALL
+ EPW : 0.22s CPU 0.23s WALL
Please consider citing:
diff --git a/test-suite/epw_mob_ibte/pp.in b/test-suite/epw_mob_ibte/pp.in
index 384ad09f384f1d702cb867dd43ccc9eceb7672bd..d5812320405d6d922e7c1448f1e19936b8fbe09b 100644
--- a/test-suite/epw_mob_ibte/pp.in
+++ b/test-suite/epw_mob_ibte/pp.in
@@ -1,2 +1 @@
si
-n
diff --git a/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw1.in.args=3 b/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw1.in.args=3
index 69a02f76888f818295e16bc50e2199d3e7e33a89..a38807b0e753a4e9a8b3acc5d4a535af92a40b01 100644
--- a/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw1.in.args=3
+++ b/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw1.in.args=3
@@ -27,7 +27,7 @@
Comput. Phys. Commun. 209, 116 (2016)
- Program EPW v.5.0.0 starts on 16Oct2018 at 16: 4:52
+ Program EPW v.5.1.0 starts on 25Mar2019 at 11:28:13
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
@@ -65,9 +65,6 @@
number of atomic types = 1
kinetic-energy cut-off = 10.0000 Ry
charge density cut-off = 40.0000 Ry
- convergence threshold = 0.0E+00
- beta = 0.0000
- number of iterations used = 0
Exchange-correlation = PBE ( 1 4 3 4 0 0)
@@ -90,8 +87,8 @@
Cartesian axes
site n. atom mass positions (a_0 units)
- 1 Si 28.0879 tau( 1) = ( 0.00000 0.00000 0.00000 )
- 2 Si 28.0879 tau( 2) = ( 0.25000 0.25000 0.25000 )
+ 1 Si 28.0855 tau( 1) = ( 0.00000 0.00000 0.00000 )
+ 2 Si 28.0855 tau( 2) = ( 0.25000 0.25000 0.25000 )
49 Sym.Ops. (with q -> -q+G )
@@ -317,7 +314,7 @@
k( 216) = ( -0.8333333 0.8333333 0.8333333), wk = 0.0092593
PseudoPot. # 1 for Si read from file:
- ./Si_r.upf
+ ../../pseudo/Si_r.upf
MD5 check sum: c84abb4b0aac9c93a8e9f74896432a0a
Pseudo is Norm-conserving + core correction, Zval = 4.0
Generated using ONCVPSP code by D. R. Hamann
@@ -328,9 +325,9 @@
l(4) = 1
l(5) = 2
l(6) = 2
- EPW : 0.23s CPU 0.24s WALL
+ EPW : 0.24s CPU 0.25s WALL
- EPW : 0.30s CPU 0.32s WALL
+ EPW : 0.31s CPU 0.32s WALL
No wavefunction gauge setting applied
-------------------------------------------------------------------
@@ -808,38 +805,38 @@
Wannier Function centers (cartesian, alat) and spreads (ang):
- ( 0.04064 0.04064 0.04064) : 2.52565
- ( 0.04064 -0.04064 -0.04064) : 2.52565
- ( -0.04064 0.04064 -0.04064) : 2.52565
- ( -0.04064 -0.04064 0.04064) : 2.52565
- ( 0.33426 0.33426 0.33426) : 2.12920
- ( 0.33426 0.16574 0.16574) : 2.12920
- ( 0.16574 0.33426 0.16574) : 2.12920
- ( 0.16574 0.16574 0.33426) : 2.12920
+ ( 0.04064 0.04064 0.04064) : 2.52567
+ ( 0.04064 -0.04064 -0.04064) : 2.52567
+ ( -0.04064 0.04064 -0.04064) : 2.52567
+ ( -0.04064 -0.04064 0.04064) : 2.52567
+ ( 0.33426 0.33426 0.33426) : 2.12918
+ ( 0.33426 0.16574 0.16574) : 2.12918
+ ( 0.16574 0.33426 0.16574) : 2.12918
+ ( 0.16574 0.16574 0.33426) : 2.12918
-------------------------------------------------------------------
- WANNIER : 9.62s CPU 9.65s WALL ( 1 calls)
+ WANNIER : 11.12s CPU 11.18s WALL ( 1 calls)
-------------------------------------------------------------------
Dipole matrix elements calculated
- Calculating kmap and kgmap
- Progress kmap: ########################################
+ Calculating kgmap
+
Progress kgmap: ########################################
kmaps : 0.05s CPU 0.05s WALL ( 1 calls)
Reading interatomic force constants
Read Z* and epsilon
- IFC last -0.0026126
+ IFC last -0.0026119
Norm of the difference between old and new effective charges: 0.0000000
Norm of the difference between old and new force-constants: 0.0000020
Imposed crystal ASR
Finished reading ifcs
- Symmetries of bravais lattice: 48
+ Symmetries of Bravais lattice: 48
Symmetries of crystal: 48
@@ -922,7 +919,7 @@
Reading interatomic force constants
Read Z* and epsilon
- IFC last -0.0026126
+ IFC last -0.0026119
Norm of the difference between old and new effective charges: 0.0000000
Norm of the difference between old and new force-constants: 0.0000020
Imposed crystal ASR
@@ -933,13 +930,13 @@
Finished reading Wann rep data from file
===================================================================
- Memory usage: VmHWM = 57Mb
- VmPeak = 325Mb
+ Memory usage: VmHWM = 64Mb
+ VmPeak = 332Mb
===================================================================
Using q-mesh file: ./LGX.txt
Size of q point mesh for interpolation: 100
- Using k-mesh file: ./LGX.txt
+ Using k-mesh file: ./LGX.txt
Size of k point mesh for interpolation: 200
Max number of k points per pool: 200
@@ -956,40 +953,41 @@
Number of ep-matrix elements per pool : 2400 ~= 18.75 Kb (@ 8 bytes/ DP)
+ Number selected, total 100 100
We only need to compute 100 q-points
Progression iq (fine) = 100/ 100
===================================================================
- Memory usage: VmHWM = 57Mb
- VmPeak = 325Mb
+ Memory usage: VmHWM = 64Mb
+ VmPeak = 332Mb
===================================================================
Unfolding on the coarse grid
- elphon_wrap : 15.49s CPU 15.93s WALL ( 1 calls)
+ elphon_wrap : 14.24s CPU 14.66s WALL ( 1 calls)
INITIALIZATION:
set_drhoc : 0.17s CPU 0.17s WALL ( 9 calls)
- init_vloc : 0.01s CPU 0.01s WALL ( 10 calls)
- init_us_1 : 0.08s CPU 0.08s WALL ( 10 calls)
+ init_vloc : 0.00s CPU 0.00s WALL ( 1 calls)
+ init_us_1 : 0.01s CPU 0.01s WALL ( 1 calls)
Electron-Phonon interpolation
- ephwann : 2.59s CPU 3.05s WALL ( 1 calls)
- ep-interp : 1.50s CPU 1.90s WALL ( 100 calls)
+ ephwann : 2.46s CPU 2.89s WALL ( 1 calls)
+ ep-interp : 1.42s CPU 1.79s WALL ( 100 calls)
Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls)
Ham: step 2 : 0.03s CPU 0.03s WALL ( 1 calls)
ep: step 1 : 0.01s CPU 0.01s WALL ( 48 calls)
- ep: step 2 : 0.46s CPU 0.46s WALL ( 48 calls)
+ ep: step 2 : 0.46s CPU 0.47s WALL ( 48 calls)
DynW2B : 0.00s CPU 0.00s WALL ( 100 calls)
- HamW2B : 0.45s CPU 0.47s WALL ( 21866 calls)
- ephW2Bp : 0.22s CPU 0.55s WALL ( 100 calls)
+ HamW2B : 0.42s CPU 0.44s WALL ( 20791 calls)
+ ephW2Bp : 0.20s CPU 0.52s WALL ( 100 calls)
Total program execution
- EPW : 28.01s CPU 28.96s WALL
+ EPW : 28.14s CPU 29.04s WALL
Please consider citing:
diff --git a/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw2.in.args=3 b/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw2.in.args=3
index 9733826ba5c73124d83a6c09e817b5f78531e1f5..dcf03ba8f6a9536b64ac5a75a183e2dce21214a4 100644
--- a/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw2.in.args=3
+++ b/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw2.in.args=3
@@ -27,7 +27,7 @@
Comput. Phys. Commun. 209, 116 (2016)
- Program EPW v.5.0.0 starts on 4Feb2019 at 17:23:44
+ Program EPW v.5.1.0 starts on 25Mar2019 at 11:28:42
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
@@ -116,7 +116,7 @@
Reading interatomic force constants
Read Z* and epsilon
- IFC last -0.0026114
+ IFC last -0.0026119
Norm of the difference between old and new effective charges: 0.0000000
Norm of the difference between old and new force-constants: 0.0000020
Imposed crystal ASR
@@ -164,19 +164,19 @@
Temperature 400.000 K
Valence band maximum = 6.255486 eV
- Conduction band minimum = 7.660800 eV
+ Conduction band minimum = 7.660801 eV
Mobility VB Fermi level 6.861901 eV
Valence band maximum = 6.255486 eV
- Conduction band minimum = 7.660800 eV
- Mobility CB Fermi level 7.030496 eV
+ Conduction band minimum = 7.660801 eV
+ Mobility CB Fermi level 7.030497 eV
Temperature 500.000 K
Valence band maximum = 6.255486 eV
- Conduction band minimum = 7.660800 eV
+ Conduction band minimum = 7.660801 eV
Mobility VB Fermi level 7.013560 eV
Valence band maximum = 6.255486 eV
- Conduction band minimum = 7.660800 eV
- Mobility CB Fermi level 6.872903 eV
+ Conduction band minimum = 7.660801 eV
+ Mobility CB Fermi level 6.872904 eV
===================================================================
Scattering rate for IBTE
@@ -200,7 +200,7 @@
epmatkqread automatically changed to .true. as all scattering have been computed.
- Number of elements per core 1841
+ Number of elements per core 1842
Symmetry mapping finished
Average over degenerate eigenstates is performed
@@ -209,16 +209,16 @@
[K] [eV] [cm^-3] [e per cell] [cm^2/Vs]
=======================================================================
- 400.000 7.0305 0.10000E+14 0.13281E-13 0.503291E+02 x-axis
- 0.503291E+02 y-axis
- 0.503291E+02 z-axis
- 0.503291E+02 avg
- 0.270985E+01 off-diag
- 500.000 6.8729 0.10000E+14 -0.19960E-13 0.341852E+02 x-axis
- 0.341852E+02 y-axis
- 0.341852E+02 z-axis
- 0.341852E+02 avg
- 0.183953E+01 off-diag
+ 400.000 7.0305 0.10000E+14 0.22404E-27 0.503288E+02 x-axis
+ 0.503288E+02 y-axis
+ 0.503288E+02 z-axis
+ 0.503288E+02 avg
+ 0.270987E+01 off-diag
+ 500.000 6.8729 0.10000E+14 -0.21175E-21 0.341850E+02 x-axis
+ 0.341850E+02 y-axis
+ 0.341850E+02 z-axis
+ 0.341850E+02 avg
+ 0.183954E+01 off-diag
===================================================================
Start solving iterative Boltzmann Transport Equation
@@ -233,18 +233,18 @@
[K] [eV] [cm^-3] [e per cell] [cm^2/Vs]
=======================================================================
- 400.000 7.0305 0.10000E+14 -0.17764E-14 0.425063E+02 x-axis
- 0.425063E+02 y-axis
- 0.425064E+02 z-axis
- 0.425063E+02 avg
+ 400.000 7.0305 0.10000E+14 -0.10588E-21 0.425064E+02 x-axis
+ 0.425064E+02 y-axis
+ 0.425065E+02 z-axis
+ 0.425064E+02 avg
0.197415E+01 off-diag
- 500.000 6.8729 0.10000E+14 0.53291E-14 0.289431E+02 x-axis
+ 500.000 6.8729 0.10000E+14 -0.13235E-21 0.289431E+02 x-axis
0.289431E+02 y-axis
- 0.289431E+02 z-axis
+ 0.289432E+02 z-axis
0.289431E+02 avg
0.133852E+01 off-diag
- 0.425063E+02 Err
+ 0.425064E+02 Err
Iteration number: 2
@@ -254,18 +254,18 @@
[K] [eV] [cm^-3] [e per cell] [cm^2/Vs]
=======================================================================
- 400.000 7.0305 0.10000E+14 0.10658E-13 0.437672E+02 x-axis
+ 400.000 7.0305 0.10000E+14 -0.21176E-21 0.437673E+02 x-axis
0.437673E+02 y-axis
0.437673E+02 z-axis
0.437673E+02 avg
- 0.212747E+01 off-diag
- 500.000 6.8729 0.10000E+14 -0.24869E-13 0.297792E+02 x-axis
+ 0.212746E+01 off-diag
+ 500.000 6.8729 0.10000E+14 -0.26470E-22 0.297793E+02 x-axis
0.297793E+02 y-axis
0.297793E+02 z-axis
0.297793E+02 avg
- 0.144186E+01 off-diag
+ 0.144185E+01 off-diag
- 0.126093E+01 Err
+ 0.126088E+01 Err
Iteration number: 3
@@ -275,18 +275,18 @@
[K] [eV] [cm^-3] [e per cell] [cm^2/Vs]
=======================================================================
- 400.000 7.0305 0.10000E+14 0.17764E-14 0.435590E+02 x-axis
- 0.435590E+02 y-axis
+ 400.000 7.0305 0.10000E+14 -0.18529E-21 0.435590E+02 x-axis
+ 0.435591E+02 y-axis
0.435591E+02 z-axis
- 0.435590E+02 avg
- 0.209845E+01 off-diag
- 500.000 6.8729 0.10000E+14 -0.88818E-15 0.296424E+02 x-axis
- 0.296424E+02 y-axis
+ 0.435591E+02 avg
+ 0.209844E+01 off-diag
+ 500.000 6.8729 0.10000E+14 -0.26470E-22 0.296424E+02 x-axis
+ 0.296425E+02 y-axis
0.296425E+02 z-axis
- 0.296424E+02 avg
- 0.142254E+01 off-diag
+ 0.296425E+02 avg
+ 0.142253E+01 off-diag
- 0.208215E+00 Err
+ 0.208206E+00 Err
Iteration number: 4
@@ -303,16 +303,16 @@
Electron-Phonon interpolation
- ephwann : 2.49s CPU 3.65s WALL ( 1 calls)
- ep-interp : 2.31s CPU 3.46s WALL ( 343 calls)
+ ephwann : 2.42s CPU 3.56s WALL ( 1 calls)
+ ep-interp : 2.24s CPU 3.37s WALL ( 343 calls)
DynW2B : 0.01s CPU 0.01s WALL ( 343 calls)
HamW2B : 0.26s CPU 0.32s WALL ( 13780 calls)
- ephW2Bp : 0.92s CPU 1.87s WALL ( 343 calls)
+ ephW2Bp : 0.89s CPU 1.81s WALL ( 343 calls)
Total program execution
- EPW : 2.49s CPU 3.65s WALL
+ EPW : 2.42s CPU 3.56s WALL
Please consider citing:
diff --git a/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw3.in.args=3 b/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw3.in.args=3
index 631425084e8da7861dc83f9eb44eec62f4782917..7f3c71ed62d6374d739f1ecc08c3cb06d2b56b61 100644
--- a/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw3.in.args=3
+++ b/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw3.in.args=3
@@ -27,7 +27,7 @@
Comput. Phys. Commun. 209, 116 (2016)
- Program EPW v.5.0.0 starts on 4Feb2019 at 17:23:48
+ Program EPW v.5.1.0 starts on 25Mar2019 at 11:28:46
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
@@ -116,7 +116,7 @@
Reading interatomic force constants
Read Z* and epsilon
- IFC last -0.0026114
+ IFC last -0.0026119
Norm of the difference between old and new effective charges: 0.0000000
Norm of the difference between old and new force-constants: 0.0000020
Imposed crystal ASR
@@ -160,16 +160,16 @@
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
=======================================================================
- 400.000 6.8619 0.10000E+14 -0.37838E-05 0.478644E-02 x-axis
- 0.115236E-01 y-axis
- 0.478645E-02 z-axis
- 0.703217E-02 avg
- 0.157115E-04 off-diag
- 500.000 7.0136 0.10000E+14 -0.32700E-05 0.274751E-01 x-axis
- 0.637035E-01 y-axis
- 0.274751E-01 z-axis
- 0.395512E-01 avg
- 0.100271E-03 off-diag
+ 400.000 6.8619 0.10000E+14 0.15630E-12 0.478648E-02 x-axis
+ 0.115237E-01 y-axis
+ 0.478647E-02 z-axis
+ 0.703222E-02 avg
+ 0.157112E-04 off-diag
+ 500.000 7.0136 0.10000E+14 0.10792E-12 0.274752E-01 x-axis
+ 0.637040E-01 y-axis
+ 0.274752E-01 z-axis
+ 0.395515E-01 avg
+ 0.100270E-03 off-diag
===================================================================
Start solving iterative Boltzmann Transport Equation
@@ -184,18 +184,18 @@
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
=======================================================================
- 400.000 6.8619 0.10000E+14 -0.75702E-05 0.613183E-02 x-axis
- 0.101815E-01 y-axis
- 0.613185E-02 z-axis
- 0.748171E-02 avg
- 0.462857E-04 off-diag
- 500.000 7.0136 0.10000E+14 -0.65421E-05 0.352955E-01 x-axis
- 0.566236E-01 y-axis
- 0.352956E-01 z-axis
- 0.424049E-01 avg
- 0.290986E-03 off-diag
+ 400.000 6.8619 0.10000E+14 0.31258E-12 0.576100E-02 x-axis
+ 0.123360E-01 y-axis
+ 0.576100E-02 z-axis
+ 0.795266E-02 avg
+ 0.101429E-03 off-diag
+ 500.000 7.0136 0.10000E+14 0.21583E-12 0.332670E-01 x-axis
+ 0.681491E-01 y-axis
+ 0.332670E-01 z-axis
+ 0.448944E-01 avg
+ 0.562277E-03 off-diag
- 0.424049E-01 Err
+ 0.448944E-01 Err
Iteration number: 2
@@ -205,18 +205,18 @@
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
=======================================================================
- 400.000 6.8619 0.10000E+14 -0.11357E-04 0.661586E-02 x-axis
- 0.103562E-01 y-axis
- 0.661588E-02 z-axis
- 0.786265E-02 avg
- 0.478162E-04 off-diag
- 500.000 7.0136 0.10000E+14 -0.98144E-05 0.381083E-01 x-axis
- 0.576816E-01 y-axis
- 0.381084E-01 z-axis
- 0.446328E-01 avg
- 0.301483E-03 off-diag
+ 400.000 6.8619 0.10000E+14 0.46885E-12 0.626663E-02 x-axis
+ 0.125619E-01 y-axis
+ 0.626663E-02 z-axis
+ 0.836505E-02 avg
+ 0.134995E-03 off-diag
+ 500.000 7.0136 0.10000E+14 0.32372E-12 0.362413E-01 x-axis
+ 0.695057E-01 y-axis
+ 0.362413E-01 z-axis
+ 0.473294E-01 avg
+ 0.752440E-03 off-diag
- 0.222789E-02 Err
+ 0.243506E-02 Err
Iteration number: 3
@@ -226,18 +226,18 @@
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
=======================================================================
- 400.000 6.8619 0.10000E+14 -0.15144E-04 0.677192E-02 x-axis
- 0.103508E-01 y-axis
- 0.677194E-02 z-axis
- 0.796489E-02 avg
- 0.484122E-04 off-diag
- 500.000 7.0136 0.10000E+14 -0.13086E-04 0.390317E-01 x-axis
- 0.576726E-01 y-axis
- 0.390318E-01 z-axis
- 0.452454E-01 avg
- 0.304995E-03 off-diag
+ 400.000 6.8619 0.10000E+14 0.62511E-12 0.641233E-02 x-axis
+ 0.126295E-01 y-axis
+ 0.641234E-02 z-axis
+ 0.848472E-02 avg
+ 0.142126E-03 off-diag
+ 500.000 7.0136 0.10000E+14 0.43160E-12 0.371175E-01 x-axis
+ 0.698792E-01 y-axis
+ 0.371175E-01 z-axis
+ 0.480381E-01 avg
+ 0.791766E-03 off-diag
- 0.612607E-03 Err
+ 0.708655E-03 Err
Iteration number: 4
@@ -247,18 +247,18 @@
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
=======================================================================
- 400.000 6.8619 0.10000E+14 -0.18930E-04 0.682645E-02 x-axis
- 0.103546E-01 y-axis
- 0.682647E-02 z-axis
- 0.800252E-02 avg
- 0.483707E-04 off-diag
- 500.000 7.0136 0.10000E+14 -0.16358E-04 0.393568E-01 x-axis
- 0.577063E-01 y-axis
- 0.393569E-01 z-axis
- 0.454733E-01 avg
- 0.304725E-03 off-diag
+ 400.000 6.8619 0.10000E+14 0.78135E-12 0.647268E-02 x-axis
+ 0.126416E-01 y-axis
+ 0.647268E-02 z-axis
+ 0.852898E-02 avg
+ 0.143785E-03 off-diag
+ 500.000 7.0136 0.10000E+14 0.53947E-12 0.374808E-01 x-axis
+ 0.699583E-01 y-axis
+ 0.374809E-01 z-axis
+ 0.483067E-01 avg
+ 0.801456E-03 off-diag
- 0.227943E-03 Err
+ 0.268599E-03 Err
Iteration number: 5
@@ -275,13 +275,13 @@
Electron-Phonon interpolation
- ephwann : 0.19s CPU 0.19s WALL ( 1 calls)
+ ephwann : 0.18s CPU 0.18s WALL ( 1 calls)
HamW2B : 0.00s CPU 0.00s WALL ( 40 calls)
Total program execution
- EPW : 0.19s CPU 0.19s WALL
+ EPW : 0.18s CPU 0.19s WALL
Please consider citing:
diff --git a/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw5.in.args=3 b/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw5.in.args=3
index 267ab41992f8c5ec1b066bef33a9faf9b2e54e5d..e224a7596bf73a7738e499f7903208f6f3aee40e 100644
--- a/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw5.in.args=3
+++ b/test-suite/epw_mob_ibte_sym/benchmark.out.git.inp=epw5.in.args=3
@@ -27,7 +27,7 @@
Comput. Phys. Commun. 209, 116 (2016)
- Program EPW v.5.1.0 starts on 27Feb2019 at 17:58:10
+ Program EPW v.5.1.0 starts on 25Mar2019 at 11:29:18
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
@@ -198,12 +198,12 @@
[K] [eV] [cm^-3] [e per cell] [cm^2/Vs]
=======================================================================
- 400.000 7.0305 0.10000E+14 0.53291E-14 0.291052E+00 x-axis
+ 400.000 7.0305 0.10000E+14 0.16156E-26 0.291052E+00 x-axis
0.291048E+00 y-axis
0.291043E+00 z-axis
0.291048E+00 avg
-0.881377E-01 off-diag
- 500.000 6.8729 0.10000E+14 -0.36415E-13 0.226888E+00 x-axis
+ 500.000 6.8729 0.10000E+14 0.16156E-26 0.226888E+00 x-axis
0.226885E+00 y-axis
0.226882E+00 z-axis
0.226885E+00 avg
@@ -222,18 +222,18 @@
[K] [eV] [cm^-3] [e per cell] [cm^2/Vs]
=======================================================================
- 400.000 7.0305 0.10000E+14 -0.35527E-14 0.247099E+00 x-axis
- 0.247095E+00 y-axis
- 0.247091E+00 z-axis
- 0.247095E+00 avg
- -0.749662E-01 off-diag
- 500.000 6.8729 0.10000E+14 -0.26645E-14 0.194968E+00 x-axis
- 0.194965E+00 y-axis
- 0.194962E+00 z-axis
- 0.194965E+00 avg
- -0.497501E-01 off-diag
+ 400.000 7.0305 0.10000E+14 -0.29346E-27 0.247133E+00 x-axis
+ 0.247129E+00 y-axis
+ 0.247125E+00 z-axis
+ 0.247129E+00 avg
+ -0.749845E-01 off-diag
+ 500.000 6.8729 0.10000E+14 0.40390E-26 0.195015E+00 x-axis
+ 0.195012E+00 y-axis
+ 0.195009E+00 z-axis
+ 0.195012E+00 avg
+ -0.498150E-01 off-diag
- 0.247095E+00 Err
+ 0.247129E+00 Err
Iteration number: 2
@@ -243,18 +243,18 @@
[K] [eV] [cm^-3] [e per cell] [cm^2/Vs]
=======================================================================
- 400.000 7.0305 0.10000E+14 -0.39968E-14 0.253805E+00 x-axis
- 0.253801E+00 y-axis
- 0.253796E+00 z-axis
- 0.253801E+00 avg
- -0.769328E-01 off-diag
- 500.000 6.8729 0.10000E+14 0.12434E-13 0.199728E+00 x-axis
- 0.199725E+00 y-axis
- 0.199722E+00 z-axis
- 0.199725E+00 avg
- -0.510597E-01 off-diag
+ 400.000 7.0305 0.10000E+14 0.68158E-27 0.253832E+00 x-axis
+ 0.253828E+00 y-axis
+ 0.253824E+00 z-axis
+ 0.253828E+00 avg
+ -0.769494E-01 off-diag
+ 500.000 6.8729 0.10000E+14 0.16156E-26 0.199774E+00 x-axis
+ 0.199771E+00 y-axis
+ 0.199768E+00 z-axis
+ 0.199771E+00 avg
+ -0.511206E-01 off-diag
- 0.670537E-02 Err
+ 0.669890E-02 Err
Iteration number: 3
@@ -264,18 +264,18 @@
[K] [eV] [cm^-3] [e per cell] [cm^2/Vs]
=======================================================================
- 400.000 7.0305 0.10000E+14 0.35527E-14 0.252777E+00 x-axis
- 0.252773E+00 y-axis
- 0.252769E+00 z-axis
- 0.252773E+00 avg
- -0.766400E-01 off-diag
- 500.000 6.8729 0.10000E+14 0.21760E-13 0.199014E+00 x-axis
- 0.199011E+00 y-axis
- 0.199008E+00 z-axis
- 0.199011E+00 avg
- -0.508637E-01 off-diag
+ 400.000 7.0305 0.10000E+14 0.13127E-26 0.252806E+00 x-axis
+ 0.252801E+00 y-axis
+ 0.252797E+00 z-axis
+ 0.252801E+00 avg
+ -0.766570E-01 off-diag
+ 500.000 6.8729 0.10000E+14 0.20195E-26 0.199060E+00 x-axis
+ 0.199057E+00 y-axis
+ 0.199054E+00 z-axis
+ 0.199057E+00 avg
+ -0.509252E-01 off-diag
- 0.102780E-02 Err
+ 0.102669E-02 Err
Iteration number: 4
@@ -292,16 +292,16 @@
Electron-Phonon interpolation
- ephwann : 3.63s CPU 4.97s WALL ( 1 calls)
- ep-interp : 3.44s CPU 4.78s WALL ( 343 calls)
+ ephwann : 3.68s CPU 4.81s WALL ( 1 calls)
+ ep-interp : 3.49s CPU 4.62s WALL ( 343 calls)
DynW2B : 0.01s CPU 0.01s WALL ( 343 calls)
- HamW2B : 0.28s CPU 0.32s WALL ( 13780 calls)
- ephW2Bp : 0.81s CPU 1.91s WALL ( 343 calls)
+ HamW2B : 0.29s CPU 0.31s WALL ( 13780 calls)
+ ephW2Bp : 0.85s CPU 1.81s WALL ( 343 calls)
Total program execution
- EPW : 3.63s CPU 4.97s WALL
+ EPW : 3.68s CPU 4.81s WALL
Please consider citing:
diff --git a/test-suite/epw_mob_ibte_sym/pp.in b/test-suite/epw_mob_ibte_sym/pp.in
index 384ad09f384f1d702cb867dd43ccc9eceb7672bd..d5812320405d6d922e7c1448f1e19936b8fbe09b 100644
--- a/test-suite/epw_mob_ibte_sym/pp.in
+++ b/test-suite/epw_mob_ibte_sym/pp.in
@@ -1,2 +1 @@
si
-n
diff --git a/test-suite/epw_pl/pp.in b/test-suite/epw_pl/pp.in
index 384ad09f384f1d702cb867dd43ccc9eceb7672bd..d5812320405d6d922e7c1448f1e19936b8fbe09b 100644
--- a/test-suite/epw_pl/pp.in
+++ b/test-suite/epw_pl/pp.in
@@ -1,2 +1 @@
si
-n
diff --git a/test-suite/epw_polar/pp.in b/test-suite/epw_polar/pp.in
index 5f626e42123f5e55c1a268b84856c7074623c375..12215da83bba7f43a5b6042d0beff3f08f20e8e9 100644
--- a/test-suite/epw_polar/pp.in
+++ b/test-suite/epw_polar/pp.in
@@ -1,2 +1 @@
sic
-n
diff --git a/test-suite/epw_super/benchmark.out.git.inp=epw_aniso.in.args=3 b/test-suite/epw_super/benchmark.out.git.inp=epw_aniso.in.args=3
index 35974f42375362bf04b9f5982378fcfca86a497f..7f678e33ff5c21201aeabc03628b370996c295bd 100644
--- a/test-suite/epw_super/benchmark.out.git.inp=epw_aniso.in.args=3
+++ b/test-suite/epw_super/benchmark.out.git.inp=epw_aniso.in.args=3
@@ -27,7 +27,7 @@
Comput. Phys. Commun. 209, 116 (2016)
- Program EPW v.5.0.0 starts on 17Oct2018 at 11:12:23
+ Program EPW v.5.1.0 starts on 2Apr2019 at 14:20: 5
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
@@ -65,9 +65,6 @@
number of atomic types = 2
kinetic-energy cut-off = 40.0000 Ry
charge density cut-off = 160.0000 Ry
- convergence threshold = 0.0E+00
- beta = 0.0000
- number of iterations used = 0
Exchange-correlation = PZ ( 1 1 0 0 0 0)
@@ -90,9 +87,9 @@
Cartesian axes
site n. atom mass positions (a_0 units)
- 1 Mg 24.3071 tau( 1) = ( 0.00000 0.00000 0.00000 )
- 2 B 10.8119 tau( 2) = ( -0.00000 0.57735 0.57103 )
- 3 B 10.8119 tau( 3) = ( 0.50000 0.28868 0.57103 )
+ 1 Mg 24.3050 tau( 1) = ( 0.00000 0.00000 0.00000 )
+ 2 B 10.8110 tau( 2) = ( -0.00000 0.57735 0.57103 )
+ 3 B 10.8110 tau( 3) = ( 0.50000 0.28868 0.57103 )
25 Sym.Ops. (with q -> -q+G )
@@ -129,8 +126,8 @@
k( 27) = ( 0.6666667 1.1547005 0.5837357), wk = 0.0740741
PseudoPot. # 1 for Mg read from file:
- ./Mg.pz-n-vbc.UPF
- MD5 check sum: 51ac066f8f4bf7da60c51ce0af5caf3d
+ ../../pseudo/Mg.pz-n-vbc.UPF
+ MD5 check sum: adf9ca49345680d0fd32b5bc0752f25b
Pseudo is Norm-conserving + core correction, Zval = 2.0
Generated by new atomic code, or converted to UPF format
Using radial grid of 171 points, 2 beta functions with:
@@ -138,13 +135,13 @@
l(2) = 1
PseudoPot. # 2 for B read from file:
- ./B.pz-vbc.UPF
- MD5 check sum: b59596b5d63edeea6a2b3a0beace49c5
+ ../../pseudo/B.pz-vbc.UPF
+ MD5 check sum: 57e6d61f6735028425feb5bdf19679fb
Pseudo is Norm-conserving, Zval = 3.0
Generated by new atomic code, or converted to UPF format
Using radial grid of 157 points, 1 beta functions with:
l(1) = 0
- EPW : 0.06s CPU 0.06s WALL
+ EPW : 0.07s CPU 0.07s WALL
EPW : 0.11s CPU 0.11s WALL
@@ -250,17 +247,17 @@
( 0.25000 0.43301 0.66488) : 1.07401
-------------------------------------------------------------------
- WANNIER : 4.72s CPU 4.73s WALL ( 1 calls)
+ WANNIER : 4.69s CPU 4.70s WALL ( 1 calls)
-------------------------------------------------------------------
Dipole matrix elements calculated
- Calculating kmap and kgmap
- Progress kmap: ###########################
+ Calculating kgmap
+
Progress kgmap: ########################################
- kmaps : 0.66s CPU 0.66s WALL ( 1 calls)
- Symmetries of bravais lattice: 24
+ kmaps : 0.74s CPU 0.76s WALL ( 1 calls)
+ Symmetries of Bravais lattice: 24
Symmetries of crystal: 24
@@ -431,10 +428,6 @@
Number of ep-matrix elements per pool : 6300 ~= 49.22 Kb (@ 8 bytes/ DP)
-
- A selecq.fmt file was found but re-created because selecqread == .false.
- We only need to compute 216 q-points
-
Nr. of irreducible k-points on the uniform grid: 28
@@ -447,8 +440,8 @@
Nr irreducible k-points within the Fermi shell = 28 out of 28
Progression iq (fine) = 100/ 216
Progression iq (fine) = 200/ 216
- Fermi level (eV) = 0.766449682995321D+01
- DOS(states/spin/eV/Unit Cell) = 0.913425062108237D+00
+ Fermi level (eV) = 0.766449682987715D+01
+ DOS(states/spin/eV/Unit Cell) = 0.913425062442885D+00
Electron smearing (eV) = 0.100000000000000D+00
Fermi window (eV) = 0.200000000000000D+02
@@ -466,8 +459,8 @@
Finish reading .freq file
- Fermi level (eV) = 7.6644968300E+00
- DOS(states/spin/eV/Unit Cell) = 9.1342506211E-01
+ Fermi level (eV) = 7.6644968299E+00
+ DOS(states/spin/eV/Unit Cell) = 9.1342506244E-01
Electron smearing (eV) = 1.0000000000E-01
Fermi window (eV) = 2.0000000000E+01
Nr irreducible k-points within the Fermi shell = 28 out of 28
@@ -488,7 +481,7 @@
Finish reading .ephmat files
- lambda_max = 126.3632786 lambda_k_max = 3.2077041
+ lambda_max = 126.3632787 lambda_k_max = 3.2077041
Electron-phonon coupling strength = 0.8715788
@@ -505,51 +498,51 @@
Size of allocated memory per pool : ~= 0.1503 Gb
- iter = 1 relerr = 2.3226492869E+00 abserr = 3.7868513587E-03 Znormi(1) = 1.8425204689E+00 Deltai(1) = 5.1023202661E-03
- iter = 2 relerr = 1.0382603316E-01 abserr = 1.7988573573E-04 Znormi(1) = 1.8384556113E+00 Deltai(1) = 5.7837080986E-03
- iter = 3 relerr = 1.1297818870E-01 abserr = 2.1742639752E-04 Znormi(1) = 1.8328771910E+00 Deltai(1) = 6.5988531244E-03
- iter = 4 relerr = 5.8057795346E-02 abserr = 1.1861891474E-04 Znormi(1) = 1.8301075444E+00 Deltai(1) = 6.9874927954E-03
- iter = 5 relerr = 1.2326147244E-01 abserr = 2.8723921772E-04 Znormi(1) = 1.8231761313E+00 Deltai(1) = 7.8813439967E-03
- iter = 6 relerr = 3.4567302238E-02 abserr = 8.3423187451E-05 Znormi(1) = 1.8212407163E+00 Deltai(1) = 8.1187946175E-03
- iter = 7 relerr = 6.0357211069E-03 abserr = 1.4649424202E-05 Znormi(1) = 1.8210144597E+00 Deltai(1) = 8.1526876799E-03
+ iter = 1 relerr = 2.3226492868E+00 abserr = 3.7868513576E-03 Znormi(1) = 1.8425204688E+00 Deltai(1) = 5.1023202661E-03
+ iter = 2 relerr = 1.0382603327E-01 abserr = 1.7988573589E-04 Znormi(1) = 1.8384556112E+00 Deltai(1) = 5.7837080994E-03
+ iter = 3 relerr = 1.1297818883E-01 abserr = 2.1742639777E-04 Znormi(1) = 1.8328771909E+00 Deltai(1) = 6.5988531261E-03
+ iter = 4 relerr = 5.8057795415E-02 abserr = 1.1861891489E-04 Znormi(1) = 1.8301075444E+00 Deltai(1) = 6.9874927977E-03
+ iter = 5 relerr = 1.2326147270E-01 abserr = 2.8723921843E-04 Znormi(1) = 1.8231761313E+00 Deltai(1) = 7.8813440013E-03
+ iter = 6 relerr = 3.4567302130E-02 abserr = 8.3423187212E-05 Znormi(1) = 1.8212407162E+00 Deltai(1) = 8.1187946214E-03
+ iter = 7 relerr = 6.0357210983E-03 abserr = 1.4649424186E-05 Znormi(1) = 1.8210144596E+00 Deltai(1) = 8.1526876837E-03
Convergence was reached in nsiter = 7
- iaxis_imag : 40.20s CPU 40.24s WALL ( 1 calls)
+ iaxis_imag : 40.14s CPU 40.17s WALL ( 1 calls)
Pade approximant of anisotropic Eliashberg equations from imaginary-axis to real-axis
Cutoff frequency wscut = 0.5000
- pade = 56 error = 1.2540704181E+00 Re[Znorm(1)] = 1.6760048406E+00 Re[Delta(1)] = 7.5379702197E-03
- raxis_pade : 0.17s CPU 0.18s WALL ( 1 calls)
+ pade = 56 error = 1.3492023744E+00 Re[Znorm(1)] = 1.6759787082E+00 Re[Delta(1)] = 7.5379615438E-03
+ raxis_pade : 0.16s CPU 0.16s WALL ( 1 calls)
- itemp = 1 total cpu time : 40.42 secs
+ itemp = 1 total cpu time : 40.33 secs
Unfolding on the coarse grid
- elphon_wrap : 45.89s CPU 46.46s WALL ( 1 calls)
+ elphon_wrap : 46.97s CPU 47.68s WALL ( 1 calls)
INITIALIZATION:
- set_drhoc : 0.38s CPU 0.38s WALL ( 28 calls)
- init_vloc : 0.04s CPU 0.04s WALL ( 29 calls)
- init_us_1 : 0.13s CPU 0.13s WALL ( 29 calls)
+ set_drhoc : 0.38s CPU 0.39s WALL ( 28 calls)
+ init_vloc : 0.00s CPU 0.00s WALL ( 1 calls)
+ init_us_1 : 0.00s CPU 0.00s WALL ( 1 calls)
Electron-Phonon interpolation
- ephwann : 0.71s CPU 0.74s WALL ( 1 calls)
- ep-interp : 0.54s CPU 0.57s WALL ( 216 calls)
+ ephwann : 0.70s CPU 0.74s WALL ( 1 calls)
+ ep-interp : 0.55s CPU 0.57s WALL ( 216 calls)
Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls)
Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls)
ep: step 1 : 0.00s CPU 0.00s WALL ( 243 calls)
ep: step 2 : 0.04s CPU 0.04s WALL ( 243 calls)
DynW2B : 0.01s CPU 0.01s WALL ( 216 calls)
- HamW2B : 0.09s CPU 0.09s WALL ( 12584 calls)
- ephW2Bp : 0.08s CPU 0.09s WALL ( 216 calls)
+ HamW2B : 0.09s CPU 0.09s WALL ( 12152 calls)
+ ephW2Bp : 0.08s CPU 0.08s WALL ( 216 calls)
- ELIASHBERG : 104.63s CPU 104.67s WALL ( 1 calls)
+ ELIASHBERG : 105.19s CPU 105.24s WALL ( 1 calls)
Total program execution
- EPW : 2m36.05s CPU 2m36.72s WALL
+ EPW : 2m37.66s CPU 2m38.47s WALL
Please consider citing:
diff --git a/test-suite/epw_super/benchmark.out.git.inp=epw_iso.in.args=3 b/test-suite/epw_super/benchmark.out.git.inp=epw_iso.in.args=3
index ffed776cd0ba66a983bd45d4ebe74fc3ecb56b38..fcb9d628a6de3348389f19cebb67f49d5507208f 100644
--- a/test-suite/epw_super/benchmark.out.git.inp=epw_iso.in.args=3
+++ b/test-suite/epw_super/benchmark.out.git.inp=epw_iso.in.args=3
@@ -27,7 +27,7 @@
Comput. Phys. Commun. 209, 116 (2016)
- Program EPW v.5.0.0 starts on 17Oct2018 at 11:10:25
+ Program EPW v.5.1.0 starts on 2Apr2019 at 14:18: 6
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
@@ -65,9 +65,6 @@
number of atomic types = 2
kinetic-energy cut-off = 40.0000 Ry
charge density cut-off = 160.0000 Ry
- convergence threshold = 0.0E+00
- beta = 0.0000
- number of iterations used = 0
Exchange-correlation = PZ ( 1 1 0 0 0 0)
@@ -90,9 +87,9 @@
Cartesian axes
site n. atom mass positions (a_0 units)
- 1 Mg 24.3071 tau( 1) = ( 0.00000 0.00000 0.00000 )
- 2 B 10.8119 tau( 2) = ( -0.00000 0.57735 0.57103 )
- 3 B 10.8119 tau( 3) = ( 0.50000 0.28868 0.57103 )
+ 1 Mg 24.3050 tau( 1) = ( 0.00000 0.00000 0.00000 )
+ 2 B 10.8110 tau( 2) = ( -0.00000 0.57735 0.57103 )
+ 3 B 10.8110 tau( 3) = ( 0.50000 0.28868 0.57103 )
25 Sym.Ops. (with q -> -q+G )
@@ -129,8 +126,8 @@
k( 27) = ( 0.6666667 1.1547005 0.5837357), wk = 0.0740741
PseudoPot. # 1 for Mg read from file:
- ./Mg.pz-n-vbc.UPF
- MD5 check sum: 51ac066f8f4bf7da60c51ce0af5caf3d
+ ../../pseudo/Mg.pz-n-vbc.UPF
+ MD5 check sum: adf9ca49345680d0fd32b5bc0752f25b
Pseudo is Norm-conserving + core correction, Zval = 2.0
Generated by new atomic code, or converted to UPF format
Using radial grid of 171 points, 2 beta functions with:
@@ -138,15 +135,15 @@
l(2) = 1
PseudoPot. # 2 for B read from file:
- ./B.pz-vbc.UPF
- MD5 check sum: b59596b5d63edeea6a2b3a0beace49c5
+ ../../pseudo/B.pz-vbc.UPF
+ MD5 check sum: 57e6d61f6735028425feb5bdf19679fb
Pseudo is Norm-conserving, Zval = 3.0
Generated by new atomic code, or converted to UPF format
Using radial grid of 157 points, 1 beta functions with:
l(1) = 0
- EPW : 0.05s CPU 0.05s WALL
+ EPW : 0.07s CPU 0.07s WALL
- EPW : 0.10s CPU 0.11s WALL
+ EPW : 0.11s CPU 0.11s WALL
No wavefunction gauge setting applied
-------------------------------------------------------------------
@@ -250,17 +247,17 @@
( 0.25000 0.43301 0.66488) : 1.07401
-------------------------------------------------------------------
- WANNIER : 4.69s CPU 4.69s WALL ( 1 calls)
+ WANNIER : 4.62s CPU 4.65s WALL ( 1 calls)
-------------------------------------------------------------------
Dipole matrix elements calculated
- Calculating kmap and kgmap
- Progress kmap: ###########################
+ Calculating kgmap
+
Progress kgmap: ########################################
- kmaps : 0.65s CPU 0.65s WALL ( 1 calls)
- Symmetries of bravais lattice: 24
+ kmaps : 0.70s CPU 0.72s WALL ( 1 calls)
+ Symmetries of Bravais lattice: 24
Symmetries of crystal: 24
@@ -431,8 +428,6 @@
Number of ep-matrix elements per pool : 6300 ~= 49.22 Kb (@ 8 bytes/ DP)
- We only need to compute 216 q-points
-
Nr. of irreducible k-points on the uniform grid: 28
@@ -445,8 +440,8 @@
Nr irreducible k-points within the Fermi shell = 28 out of 28
Progression iq (fine) = 100/ 216
Progression iq (fine) = 200/ 216
- Fermi level (eV) = 0.766449682995321D+01
- DOS(states/spin/eV/Unit Cell) = 0.913425062108237D+00
+ Fermi level (eV) = 0.766449682987715D+01
+ DOS(states/spin/eV/Unit Cell) = 0.913425062442885D+00
Electron smearing (eV) = 0.100000000000000D+00
Fermi window (eV) = 0.200000000000000D+02
@@ -464,8 +459,8 @@
Finish reading .freq file
- Fermi level (eV) = 7.6644968300E+00
- DOS(states/spin/eV/Unit Cell) = 9.1342506211E-01
+ Fermi level (eV) = 7.6644968299E+00
+ DOS(states/spin/eV/Unit Cell) = 9.1342506244E-01
Electron smearing (eV) = 1.0000000000E-01
Fermi window (eV) = 2.0000000000E+01
Nr irreducible k-points within the Fermi shell = 28 out of 28
@@ -486,7 +481,7 @@
Finish reading .ephmat files
- lambda_max = 126.3632786 lambda_k_max = 3.2077041
+ lambda_max = 126.3632787 lambda_k_max = 3.2077041
Electron-phonon coupling strength = 0.8715788
@@ -500,20 +495,20 @@
Total number of frequency points nsiw ( 1 ) = 62
- iter = 1 error = 2.5322786302E+00 Znormi(1) = 1.8425565148E+00 Deltai(1) = 4.4511260668E-03
- iter = 2 error = 7.6350592879E-02 Znormi(1) = 1.8420086250E+00 Deltai(1) = 4.6843298938E-03
- iter = 3 error = 4.5214453230E-02 Znormi(1) = 1.8407880676E+00 Deltai(1) = 4.9302785074E-03
- iter = 4 error = 3.4114375039E-02 Znormi(1) = 1.8396470531E+00 Deltai(1) = 5.1142664866E-03
- iter = 5 error = 5.1084767495E-02 Znormi(1) = 1.8380345292E+00 Deltai(1) = 5.3737355714E-03
- iter = 6 error = 3.1593313222E-02 Znormi(1) = 1.8369970920E+00 Deltai(1) = 5.5352742661E-03
- iter = 7 error = 3.2735364515E-03 Znormi(1) = 1.8371188436E+00 Deltai(1) = 5.5172615936E-03
+ iter = 1 error = 2.5322786302E+00 Znormi(1) = 1.8425565148E+00 Deltai(1) = 4.4511260663E-03
+ iter = 2 error = 7.6350592879E-02 Znormi(1) = 1.8420086250E+00 Deltai(1) = 4.6843298933E-03
+ iter = 3 error = 4.5214453227E-02 Znormi(1) = 1.8407880676E+00 Deltai(1) = 4.9302785068E-03
+ iter = 4 error = 3.4114375040E-02 Znormi(1) = 1.8396470531E+00 Deltai(1) = 5.1142664860E-03
+ iter = 5 error = 5.1084767499E-02 Znormi(1) = 1.8380345292E+00 Deltai(1) = 5.3737355707E-03
+ iter = 6 error = 3.1593313230E-02 Znormi(1) = 1.8369970920E+00 Deltai(1) = 5.5352742655E-03
+ iter = 7 error = 3.2735364530E-03 Znormi(1) = 1.8371188436E+00 Deltai(1) = 5.5172615930E-03
Convergence was reached in nsiter = 7
iaxis_imag : 0.00s CPU 0.00s WALL ( 1 calls)
Pade approximant of isotropic Eliashberg equations from imaginary-axis to real-axis
- pade = 50 error = 1.3383837700E+00 Re[Znorm(1)] = 1.8387340136E+00 Re[Delta(1)] = 5.5339316344E-03
+ pade = 50 error = 1.3406540098E+00 Re[Znorm(1)] = 1.8386808671E+00 Re[Delta(1)] = 5.5339372998E-03
raxis_pade : 0.01s CPU 0.01s WALL ( 1 calls)
@@ -522,41 +517,41 @@
Total number of frequency points nsw = 2000
- iter = 1 error = 1.0679396230E-01 Re[Znorm(1)] = 1.8388939124E+00 Re[Delta(1)] = 5.5362867563E-03
- iter = 2 error = 1.6731551840E-02 Re[Znorm(1)] = 1.8388939164E+00 Re[Delta(1)] = 5.5362867467E-03
- iter = 3 error = 9.9244125501E-03 Re[Znorm(1)] = 1.8388939179E+00 Re[Delta(1)] = 5.5362867432E-03
+ iter = 1 error = 1.0626740068E-01 Re[Znorm(1)] = 1.8388939127E+00 Re[Delta(1)] = 5.5362867549E-03
+ iter = 2 error = 1.6520911174E-02 Re[Znorm(1)] = 1.8388939165E+00 Re[Delta(1)] = 5.5362867458E-03
+ iter = 3 error = 9.7445084331E-03 Re[Znorm(1)] = 1.8388939179E+00 Re[Delta(1)] = 5.5362867426E-03
Convergence was reached in nsiter = 3
- raxis_acon : 1.27s CPU 1.27s WALL ( 1 calls)
+ raxis_acon : 1.34s CPU 1.34s WALL ( 1 calls)
- itemp = 1 total cpu time : 1.3 secs
+ itemp = 1 total cpu time : 1.4 secs
Unfolding on the coarse grid
- elphon_wrap : 46.19s CPU 46.87s WALL ( 1 calls)
+ elphon_wrap : 46.20s CPU 46.89s WALL ( 1 calls)
INITIALIZATION:
set_drhoc : 0.38s CPU 0.38s WALL ( 28 calls)
- init_vloc : 0.04s CPU 0.04s WALL ( 29 calls)
- init_us_1 : 0.13s CPU 0.13s WALL ( 29 calls)
+ init_vloc : 0.00s CPU 0.00s WALL ( 1 calls)
+ init_us_1 : 0.00s CPU 0.00s WALL ( 1 calls)
Electron-Phonon interpolation
- ephwann : 0.70s CPU 0.74s WALL ( 1 calls)
- ep-interp : 0.55s CPU 0.57s WALL ( 216 calls)
+ ephwann : 0.71s CPU 0.73s WALL ( 1 calls)
+ ep-interp : 0.56s CPU 0.57s WALL ( 216 calls)
Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls)
Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls)
ep: step 1 : 0.00s CPU 0.00s WALL ( 243 calls)
ep: step 2 : 0.04s CPU 0.04s WALL ( 243 calls)
DynW2B : 0.01s CPU 0.01s WALL ( 216 calls)
- HamW2B : 0.09s CPU 0.09s WALL ( 12584 calls)
+ HamW2B : 0.09s CPU 0.09s WALL ( 12152 calls)
ephW2Bp : 0.08s CPU 0.09s WALL ( 216 calls)
- ELIASHBERG : 65.56s CPU 65.58s WALL ( 1 calls)
+ ELIASHBERG : 66.16s CPU 66.17s WALL ( 1 calls)
Total program execution
- EPW : 1m57.24s CPU 1m57.99s WALL
+ EPW : 1m57.80s CPU 1m58.56s WALL
Please consider citing:
diff --git a/test-suite/epw_super/pp.in b/test-suite/epw_super/pp.in
index ec90b4406f17b7b7469a01bd2389fc7c5125e3d3..cd6dc11ad59158ca24444df51bc4f6fb6b331db5 100644
--- a/test-suite/epw_super/pp.in
+++ b/test-suite/epw_super/pp.in
@@ -1,2 +1 @@
MgB2
-n
diff --git a/test-suite/epw_trev/pp.in b/test-suite/epw_trev/pp.in
index 5f626e42123f5e55c1a268b84856c7074623c375..12215da83bba7f43a5b6042d0beff3f08f20e8e9 100644
--- a/test-suite/epw_trev/pp.in
+++ b/test-suite/epw_trev/pp.in
@@ -1,2 +1 @@
sic
-n
diff --git a/test-suite/epw_trev_uspp/pp.in b/test-suite/epw_trev_uspp/pp.in
index 5f626e42123f5e55c1a268b84856c7074623c375..12215da83bba7f43a5b6042d0beff3f08f20e8e9 100644
--- a/test-suite/epw_trev_uspp/pp.in
+++ b/test-suite/epw_trev_uspp/pp.in
@@ -1,2 +1 @@
sic
-n
diff --git a/test-suite/extract-epw.x b/test-suite/extract-epw.x
index e835ed11338f61f80c0abe054d3caff34e4272fd..b57acb2757a918457de9ae6003d08949a6212d30 100755
--- a/test-suite/extract-epw.x
+++ b/test-suite/extract-epw.x
@@ -45,6 +45,8 @@ dos1=`grep "DOS =" $fname | awk '{print $3}'`
e2=`grep " E(" $fname | awk '{print $4}'`
rsig=`grep "Re\[Sigma\]=" $fname | awk '{print $7}'`
isig=`grep "Im\[Sigma\]=" $fname | awk '{print $10}'`
+rpi=`grep "Re\[Pi\]=" $fname | awk '{print $7}'`
+ipi=`grep "Im\[Pi\]=" $fname | awk '{print $10}'`
z1=`grep " Z=" $fname | awk '{print $13}'`
lam=`grep "lam= " $fname | awk '{print $15}'`
lambda=`grep " lambda___(" $fname | awk '{print $4}'`
@@ -166,6 +168,16 @@ if test "$isig" != ""; then
for x in $isig; do echo $x; done
fi
+if test "$rpi" != ""; then
+ echo rpi
+ for x in $rpi; do echo $x; done
+fi
+
+if test "$ipi" != ""; then
+ echo ipi
+ for x in $ipi; do echo $x; done
+fi
+
if test "$z1" != ""; then
echo z1
for x in $z1; do echo $x; done
diff --git a/test-suite/userconfig.tmp b/test-suite/userconfig.tmp
index b2e5e499763b60ec3ac9f3485f200649f1e03ec7..5f3525adcc114f814309b8c16e09c80e1b1810dd 100644
--- a/test-suite/userconfig.tmp
+++ b/test-suite/userconfig.tmp
@@ -70,6 +70,8 @@ tolerance = ( (1.0e-6, 5.0e-3, 'e1'),
(1.0e-3, 5.0e-3, 'e2'),
(1.0 , 2.0e-1, 'rsig'), # epw_base3 on desktop 0.054364
(1.5 , 5.0e-1, 'isig'),
+ (1.0e-2, 1.0e-2, 'rpi'), # epw_base3 on desktop 0.054364
+ (1.0e-2, 1.0e-2, 'ipi'),
(5.0e-1, 1.0e-1, 'z1'), # epw_soc on desktop
(1.0e-2, None , 'lam'), # epw_base3 on desktop 7e-06
(1.0e-5, 1.0e-5, 'lambda'),