[Pw_forum] murnaghan : bct

[Sakhrawi Taoufek]

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>
À : PWSCF Forum <pw_forum at pwscf.org> 
Envoyé 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
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