Hello VASP user and developers, I am a beginner, I need information about these parameter
POTIM = 1.0000 time-step for ionic-motion, this is equal 1 fs right?
SMASS = 0.50 Nose mass-parameter (am), is equal Q mass the nos? thermostat, what is that mean (am) and estimated Nose-frequenzy (Omega) = 0.12E+15 period in steps = 52.92 mass= 0.101E-26a.u.
The frequency of Thermostat is 0.125E+15 (rad.Hz) period in step?
and mass = 0.101E-26a.u. is the mass of what?
Thanks, I await your prompt response
Samuel
OUTCAR parameter mean
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sammu09
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OUTCAR parameter mean
Last edited by sammu09 on Mon Mar 04, 2013 9:53 pm, edited 1 time in total.
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OUTCAR parameter mean
It is Nose mass. This is a variable which determines the frequency of fluctuations of the system (structure+thermostat).
Last edited by admin on Tue Mar 05, 2013 2:08 pm, edited 1 time in total.