Regarding max and rms FORCES in OUTCAR
Posted: Fri Dec 17, 2010 5:38 am
Dear VASP Administrator,
Our group recently upgraded our slightly older version of VASP 4.6.31 to the newer version which is 4.6.36. However, I have found that 4.6.36 no longer outputs the MAX and RMS forces in the OUTCAR following each ionic step. I often would use grep 'FORCES:' to obtain a very nice idea of the force convergence but now this is no longer conveniently possible since the line is not in the OUTCAR file any more. May I please ask, is it perhaps possible for someone in the VASP team to easily add the necessary line in the code so I can redownload and recompile it? Thank you so much for this very useful feature.
Our group recently upgraded our slightly older version of VASP 4.6.31 to the newer version which is 4.6.36. However, I have found that 4.6.36 no longer outputs the MAX and RMS forces in the OUTCAR following each ionic step. I often would use grep 'FORCES:' to obtain a very nice idea of the force convergence but now this is no longer conveniently possible since the line is not in the OUTCAR file any more. May I please ask, is it perhaps possible for someone in the VASP team to easily add the necessary line in the code so I can redownload and recompile it? Thank you so much for this very useful feature.