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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130428/9dc436be/attachment.html
