[Pw_forum] Dos & PDOS

[Farzad Molani]

Hello, 
Thanks for your comment, How can I choose the best value for degauss. my systems probebly is semiconductor.
thank you.

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:/

--- On Tue, 3/6/12, Paolo Giannozzi <giannozz at democritos.it> wrote:


From: Paolo Giannozzi <giannozz at democritos.it>
Subject: Re: [Pw_forum] Dos & PDOS
To: "Farzad Molani" <farzad_c81 at yahoo.com>
Cc: "pwscf" <pw_forum at pwscf.org>
Date: Tuesday, March 6, 2012, 3:18 PM


On Tue, 2012-03-06 at 00:53 -0800, Farzad Molani wrote:



> 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?


it isn't. You used different gaussian broadenings or different
algorithms (tetrahedra vs broadening)

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy


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