vef.py and vef.pl
Posted: Thu Nov 14, 2019 7:15 am
Dear All,
Recently I found something strange related to vef.py and .pl, the two scripts provide different results for forces, attached is the OUTCAR(1). What happened in that case and which one should I use? With the same vasp version but different installation everything is OK (OUTCAR(2)).
Moreover, when I use newer vasp version (5.4.4), I didn't find "FORCES: max atom, RMS" written in OUTCAR, why?
Many thanks in advance,
Ibrahim
Recently I found something strange related to vef.py and .pl, the two scripts provide different results for forces, attached is the OUTCAR(1). What happened in that case and which one should I use? With the same vasp version but different installation everything is OK (OUTCAR(2)).
Moreover, when I use newer vasp version (5.4.4), I didn't find "FORCES: max atom, RMS" written in OUTCAR, why?
Many thanks in advance,
Ibrahim