Queries about input and output files, running specific calculations, etc.
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rudra-b
#1
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by rudra-b » Fri Sep 28, 2007 2:59 pm
more often then not, while running vasp, what i have seen, once achiving SCF, i.e. running for NELMIN only for some geometric step, it again starts running for electronic step>NELMIN.
why it happnes?
Last edited by rudra-b on Fri Sep 28, 2007 2:59 pm, edited 1 time in total.
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admin
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#2
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by admin » Mon Oct 01, 2007 10:10 am
soory, I do not understand your question. by scf, do you mean electronic or ionic convergence?
Last edited by
admin on Mon Oct 01, 2007 10:10 am, edited 1 time in total.