To add information, I use vc-relax, and I want to get average quantities at certain pressure and temperature.
WANG Riping 2011.3.4 On 4 March 2011 09:48, Riping WANG <wang.riping.81 at gmail.com> wrote: > Dear Forum, > > For QE-CPMD calcualtion, Could any told me how many nstep keeping is > necessary to get average physical quantities? > Thank you very much. > > WANG Riping > 20101.3.4 > > > -- > > ****************************************************************************** > WANG Riping > Ph.D student, > Institute for Study of the Earth's Interior,Okayama University, > 827 Yamada, Misasa, Tottori-ken 682-0193, Japan > Tel: +81-858-43-3739(Office), 1215(Inst) > E-mail: wang.riping.81 at gmail.com > > ****************************************************************************** > > > > -- ****************************************************************************** WANG Riping Ph.D student, Institute for Study of the Earth's Interior,Okayama University, 827 Yamada, Misasa, Tottori-ken 682-0193, Japan Tel: +81-858-43-3739(Office), 1215(Inst) E-mail: wang.riping.81 at gmail.com ****************************************************************************** -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110304/f5454c02/attachment.htm
