On Thu, Jan 5, 2017 at 11:39 PM, ashkan shekaari <[email protected]> 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. > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Dr. Axel Kohlmeyer [email protected] http://goo.gl/1wk0 College of Science & Technology, Temple University, Philadelphia PA, USA International Centre for Theoretical Physics, Trieste. Italy. _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
