[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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