[Pw_forum] using ev.x

[Paolo Giannozzi]

On Sep 8, 2009, at 21:04 , udayagiri sai babu wrote:

> which equation of state should i use for cr? because for vanadium  
> and Ti
> murnagan equation of state has given reasonable (<20% error) values of
> bulk modulus but not for Cr


you are not, for sure, the first one trying to find the ground state  
of Cr
(which, if I remember correctly, is antiferromagnetic). Have you looked
for previous theoretical work?

P.
--
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222