I'd like to perform a geometric optimization job with criterion using force convergence (EDIFFG=-1E-2).
I can see energy varation as step goes on in OSZICAR file.
However, I don't know where I can see the intermediate infromation on force convergence during the job.
If it is available, where can I see it?
With best regards,
check on the force convergence during geometric optimization
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luke419
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check on the force convergence during geometric optimization
Last edited by luke419 on Thu Feb 19, 2009 2:59 am, edited 1 time in total.
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Hayley
check on the force convergence during geometric optimization
You can get the information about force convergence in OUTCAR
Last edited by Hayley on Thu Feb 19, 2009 4:22 am, edited 1 time in total.