[Pw_forum] CPMD

[ashkan shekaari]

Dear experts,


Once a CPMD simulation at zero pressure, constant volume, and at a finite
temperature (say, T=70 K) is performed (temperature is kept constant by
rescaling the nuclear degrees of freedom), what kind of MD (NVE, or, NPT)
is going to be used?




Regards,
Ashkan

*Ashkan Shekaari*
Plasma Physics Research Center
Science and Research Branch
I A U, 14778-93855 Tehran, Iran.
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