[Pw_forum] Dos & PDOS

Farzad Molani farzad_c81 at yahoo.com
Tue Mar 6 09:53:21 CET 2012


Hi QE users,
I want to get band gap for my system which consist fo carbons and Ti. I used dos.x for getting dos plot and projwfc.x for pdos plot, but when I want to compare pdos plot with dos plot I get difference band gap from both of them.
why band gap from dos and pdos is different?
please help me. 

Farzad Molani,
Ph.D Student,
Department of Theoretical Physical Chemistry,
K. N. Toosi University of Technology,
Tehran, Iran.
Tel.: 009891 4442 3308
Tel.: 009821 2306 4280 
Fax: 009821 2285 3650 
Web: http://www.chem.kntu.ac.ir/~sjalili:/
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