i know this how the program calculates? On Thu, Jan 12, 2012 at 2:00 AM, Lorenzo Paulatto < Lorenzo.Paulatto at impmc.upmc.fr> wrote:
> On Thu, 12 Jan 2012 10:08:59 +0100, bhabya sahoo <bdslipun at gmail.com> > wrote: > > how one can claculate the pressure in pwscf > > by giving only a single volume > > > > From Doc/INPUT_PW.txt: > +-------------------------------------------------------------------- > Variable: tstress > > Type: LOGICAL > Default: .false. > Description: calculate stress. It is set to .TRUE. automatically if > calculation='vc-md' or 'vc-relax' > +-------------------------------------------------------------------- > > best regards > > > > -- > Lorenzo Paulatto IdR @ IMPMC/CNRS & Universit? Paris 6 > phone: +33 (0)1 44275 084 / skype: paulatz > www: http://www-int.impmc.upmc.fr/~paulatto/ > mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120112/e5e8c5d6/attachment.htm
