[Pw_forum] CPMD

[Axel Kohlmeyer]

On Thu, Jan 5, 2017 at 11:39 PM, ashkan shekaari <shekaari at gmail.com> wrote:
> 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?

neither.

axel.

>
>
>
>
> Regards,
> Ashkan
>
> Ashkan Shekaari
> Plasma Physics Research Center
> Science and Research Branch
> I A U, 14778-93855 Tehran, Iran.
>
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-- 
Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.