Which Nose mass corresponds to SMASS=2?
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helvetico
Which Nose mass corresponds to SMASS=2?
I am performing a MD simulation of Cu/H2O and Au/H2O systems. In the manual I found that SMASS=0 corresponds to a timeconstant of the thermostat chain of 40 fs. To what timeconstant corresponds SMASS=2?
Last edited by helvetico on Thu Oct 22, 2009 2:47 pm, edited 1 time in total.
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support_vasp
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Re: Which Nose mass corresponds to SMASS=2?
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