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How to set POTIM in molecular dynamics simulations

Posted: Wed May 13, 2009 5:44 am
by fegg7502
when I do molecular dynamics simulations, how to set POTIM parameters?IS POTIM=1.2 reasonable?
another question is when the model contain H atom, should I reset the H mass to 2 or 3?why?

Re: How to set POTIM in molecular dynamics simulations

Posted: Wed Sep 04, 2024 2:07 pm
by support_vasp

Hi,

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