i want this by quasi harmonic approximation On Tue, Aug 23, 2011 at 12:07 PM, Stefano Baroni <baroni at sissa.it> wrote:
> using the quasi-harmonic approximation, or constant-pressure ab-initio > molecular dynamics (*) - SB > > (*) if you want a more articulated answer, may I expect a more articulated > and well-thought question? > > On Aug 23, 2011, at 1:46 PM, bhabya sahoo wrote: > > > how can one calculate bulk modulus and elastic constants with tempertaure > by quantum espresso code > > > > > > > > b d sahoo reserch scholar > > barc mumbai > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > > --- > Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste > http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / > stefanobaroni (skype) > > La morale est une logique de l'action comme la logique est une morale de la > pens?e - Jean Piaget > > > _______________________________________________ > 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/20110823/cde59c24/attachment-0001.htm
