How can I check the Forces

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pmignon
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How can I check the Forces

#1 Post by pmignon » 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.
Last edited by pmignon on Fri Jan 18, 2008 8:29 am, edited 1 time in total.

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