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how to choose a appropriate nose mass

Posted: Mon Jul 09, 2007 2:08 am
by destine
the vasp guide say choose the typical phonon frequency,but I don't know what is the typical frequecny,for SODIUM,whether it is the maximum frequency or the center frequency of phonon spectrum , for sodium the maximum frequency of phonon is 4 THz at room temperature ,so what is the best temperature oscillation frequency. another question is if the pressure change ,if we need Chang the nose mass.that is all the problem.

Re: how to choose a appropriate nose mass

Posted: Wed Sep 04, 2024 2:01 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.

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VASP