[Pw_forum] GWW

[ali kazempour]

Dear Geoffrey
thank you for reply. In our study about defect , one
should be inportant is the accuracy of the band gap and also the right
position of the induced level in it. then we also need to know about
total energy. If for plotting dos, I do scf calculation ,should I
define for K_POINTS  only Gamma point or we can use from a regular
mesh? and the total energy after doing scf is total energy of the
system with the G0W0 correction?
Another question: how do you set the value of n_gauss=79?
thanks a lot



Ali Kazempour

Physics department, Isfahan University of Technology

84156 Isfahan, Iran.            Tel-1:  +98 311 391 3733

Fax: +98 311 391 2376      Tel-2:  +98 311 391 2375


      
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