[Wien] Bandstructure, plotting 3Pz
Юрий Жуков
yuri.m.zhukov at gmail.com
Wed Apr 16 13:15:57 CEST 2014
Dear wien2k users, i am calculating pure grafen and i want to
see contribution of 2Pz and 3Pz(in band structure), but i have only:
Header from Pure_grafen_100k.qtlup and possible FERMI energies:
ATOM C: 1 tot,s,p,px,py,pz,
What should i change ( and wheare) to achieve my point. Thanks.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20140416/88f391ad/attachment.htm>
More information about the Wien
mailing list