Dear emine, as yo see the energy is written as function as volume, Each structure has its own volume. So? >> the equation is written as function as volume ---->? the equation is written as fucion as structurre.
________________________________ De?: Kucukbenli Emine <emine.kucukbenli at epfl.ch> ??: PWSCF Forum <pw_forum at pwscf.org> Envoy? le : Dimanche 28 avril 2013 15h31 Objet?: Re: [Pw_forum] murnaghan : bct Dear?Sakhraoui, Hui as you see below, the equation is state is written as a function of volume, so as long as you can find a way to provide the ev.x with the right volume, the equation of state fit you get is independent of the structure. http://en.wikipedia.org/wiki/Birch%E2%80%93Murnaghan_equation_of_state best, emine kucukbenli, postdoc at theos, epfl, switzerland _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://pwscf.org/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130428/fb39ee88/attachment.html