Dear all, i want to do k-resolveddos, in the exapmle08 (espresso-4.3.2) K-resolved PDOS calculation along Delta and Sigma lines are computed before in the band calculation. i wonder if i can do scf and nscf calculation and then k-resolved DOS without doing band calculation, if? yes how can i put the direction to compute??
cheers taoufik ===================================================================== Sakhraoui Taoufik,Phd student Laboratoire de la Mati?re Condens?e & Nanosciences Facult? des sciences de Monastir Avenue de l'environnement 5019-Monastir,Tunisie tel. :(+216) 96 173 454 || 22 618 579 email :tsakhrawi at yahoo.com || tousak at hotmail.fr ===================================================================== -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131221/a2ff53fc/attachment.html
