?Dear Bhabya Sahoo, we did such a calculations in the case of Garphene and h-Boron-Nitride, but the manuscript does not publish until know. After the publication we are pleased to inform you and send a copy of the manuscript and our input files.
On Tue, Aug 23, 2011 at 11:39 PM, bhabya sahoo <bdslipun at gmail.com> wrote: > 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 >> >> > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Mohsen Modarresi, PhD student of Solid State Physics, Ferdowsi University of Mashhad, Iran. Phone +98-9133452131 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110824/d34c4e76/attachment.htm
