[Pw_forum] U

[ali kazempour]

Dear all
I want to study the effect of U(habburd parameter on band gap). According to method described in coccocini phd thesis , we are able to obtain U by setting alpha to different values and   the difference in the slope of ns Vs. alpha and ns0 Vs. alpha0  is U parameter.
My question is : Do I Optimize the lattice constant After obtaining U from above procedure or not?
Does above method works for any bulk material that have d orbital? 
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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