Thanks I'm watching this now, looks very well Then I'll run it, I will let you know if I have any question or comments.
And thanks for your disposition. On 09/02/11 12:31, Eyvaz Isaev wrote: > Hi, > > In addition to Nicola's reply, just have a look at QHA suite in QE 4.2. > > Any questions/comments, please contact me. > > Bests, > Eyvaz. > > ------------------------------------------------------------------- > Prof. Eyvaz Isaev, > Department of Physics, Chemistry, and Biology (IFM), Linkoping University, > Sweden > > Theoretical Physics Department, Moscow State Institute of Steel& Alloys, > Russia, > > isaev at ifm.liu.se, eyvaz_isaev at yahoo.com > > > > ----- Original Message ---- > From: Wilfredo Ibarra Hernandez<wibarrah at gmail.com> > To: Nicola Marzari<nicola.marzari at materials.ox.ac.uk> > Cc: PWSCF Forum<pw_forum at pwscf.org> > Sent: Wed, February 9, 2011 5:24:49 PM > Subject: Re: [Pw_forum] Specific Heat > > Thanks you for your quick answer and sorry for than obvious questions. > > I'll looking better the next time before write. > > Thanks again. > > > > > On 09/02/11 10:20, Nicola Marzari wrote: > >> On 2/9/11 4:15 PM, Wilfredo Ibarra Hernandez wrote: >> >>> Dear all pwscf users >>> >>> I'm new in QE package. I want to ask if it is possible calculate a >>> specific heat whit QE? >>> >>> I looking in the Manual and in the examples and I can't found anything >>> about this property. >>> >>> >> >> Dear Wilfredo, >> >> >> if you google specific heat quantum espresso , you get everything >> you could possibly want, including QHA in the QE-Forge, and >> http://www.fisica.uniud.it/~giannozz/Papers/QHA.pdf >> >> >> nicola >> >> >> ---------------------------------------------------------------------- >> Prof Nicola Marzari Department of Materials University of Oxford >> Chair of Materials Modelling Director, Materials Modelling Laboratory >> nicola.marzari at materials.ox.ac.uk http://mml.materials.ox.ac.uk/NM >> > > -- Ibarra Hern?ndez Wilfredo Master student in Materials Science Cinvestav Unidad Qu?retaro Qu?retaro, M?xico
