how to choose a appropriate nose mass
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destine
how to choose a appropriate nose mass
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.
Last edited by destine on Mon Jul 09, 2007 2:08 am, edited 1 time in total.
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support_vasp
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Re: how to choose a appropriate nose mass
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