diff --git a/XSpectra/examples/reference/Cu_xspectra.in b/XSpectra/examples/reference/Cu_xspectra.in index 56b3ad352b262493e83c47da61f01435d587943e..c0dcec5f6d24c62bd77337737e4a055de5a364f0 100644 --- a/XSpectra/examples/reference/Cu_xspectra.in +++ b/XSpectra/examples/reference/Cu_xspectra.in @@ -1,6 +1,6 @@ &input_xspectra calculation='xanes_dipole', - edge='L23', + edge='L2', verbosity='high', prefix='Cu', outdir='/Users/calandra/Pw/SVN_9_7_2015/espresso/XSpectra/examples/results/tmp/', diff --git a/XSpectra/examples/run_example_Cu_L23 b/XSpectra/examples/run_example_Cu_L23 index 93eb33c50a7ea41e2e7ace7000759d7160fd8950..6b34f7c810e4ee43561146585c18f89d24b794e0 100755 --- a/XSpectra/examples/run_example_Cu_L23 +++ b/XSpectra/examples/run_example_Cu_L23 @@ -218,7 +218,7 @@ $ECHO "# x-ray absorption spectrum calculation" cat > Cu_xspectra.in << EOF &input_xspectra calculation='xanes_dipole', - edge='L23', + edge='L2', verbosity='high', prefix='Cu', outdir='$TMP_DIR/', @@ -251,7 +251,7 @@ $ECHO " running xspectra.x on the simple cell ...\c" $X_COMMAND < Cu_xspectra.in > Cu_xspectra.out check_failure $? $ECHO " done" - +exit mv xanes.dat Cu_xanes_L2.dat mv xanes.sav Cu_xanes_L2.sav