[Pw_forum] In consistence between plotnum = 7/10 (PP.x)

Zhiping Xu xuzp at MIT.EDU
Tue Dec 16 11:36:47 CET 2008

Hi all:
  I performed projected DOS calculation for the valence and conduction bands
using two different approaches:
(1) plotnum = 7, kpoint = 0 (Gamma point), kband around nelectrons/2
(2) plotnum = 10, by setting Emin and Emax contaning most part of the band

  The second method gives reasonable results, while the first one is shifted by
1 band. Any idea on this? Thanks.

More information about the users mailing list