Dear developers, when I use cpmd in quantum espresso, I have a question: In this code , is it better to use supercell for achieving a stable pressure and temperature?
Thank you very much. WANG Riping 2012.9.6 -- ****************************************************************************** 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), +81-858-43-1215(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/20120906/2e446c02/attachment.htm
