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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