How can I check the Forces
Posted: Fri Jan 18, 2008 8:29 am
I would like to check the evolution of the of the forces during the optimization process. Before I was working with vasp vasp.4.6.28
ans I could use a small script such as
egrep 'FORCES: max atom, RMS' OUTCAR | less -N
Now i am using vasp.4.6.31 and the corresponding line of "FORCES: max atom, RMS" is not present anymore in the OUTCAR file.
I looked more in the OUTCAR file and could not find the RMS on the forces, to follow the evolution during the optimization.
I could i do ?
Thank you in advance,
Pierre.
ans I could use a small script such as
egrep 'FORCES: max atom, RMS' OUTCAR | less -N
Now i am using vasp.4.6.31 and the corresponding line of "FORCES: max atom, RMS" is not present anymore in the OUTCAR file.
I looked more in the OUTCAR file and could not find the RMS on the forces, to follow the evolution during the optimization.
I could i do ?
Thank you in advance,
Pierre.