[Pw_forum] k-resolveddos
Sakhrawi Taoufek
tsakhrawi at yahoo.com
Sat Dec 21 16:58:46 CET 2013
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
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Sakhraoui Taoufik,Phd student
Laboratoire de la Matière Condensée & Nanosciences
Faculté 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
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