[Pw_forum] Dos & PDOS

[Paolo Giannozzi]

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