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SMASS>=0 for Nose mass control

Posted: Tue Apr 18, 2006 4:37 pm
by zlch5
Hi,

From VASP manul we know SMASS>=0 control the frequency of the temperature oscillations during the simulation.
So if SMASS=n (n>0), does it mean a period of n time steps will be chosen?

Since ionic frequencies should not differ by an order of magnitude from the frequencies of the induced temperature fluctuations, does it mean we must use vasp to determine the ionic frequencies before we chose correct SMASS?

Thank you

Re: SMASS>=0 for Nose mass control

Posted: Wed Sep 11, 2024 1:26 pm
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP