On Feb 9, 2011, at 12:48 , Battal Gazi YAL?IN wrote: > my calculation is always giving the same energy values > at Gamma and X point
than I would first of all check if what you call the "X point" is really the X point or if it is equivalent to Gamma... P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
