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
SMASS>=0 for Nose mass control
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zlch5
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SMASS>=0 for Nose mass control
Last edited by zlch5 on Tue Apr 18, 2006 4:37 pm, edited 1 time in total.