[Wannier] plotting Wannier orbitals

seunghwan lee seung43210 at yahoo.com
Thu May 6 21:08:44 CEST 2010


Hi All,

I have a question about plotting Wannier orbitals. The question may
not make any sense, but is there any way to relate a particular
wannier orbital and an energy band? For example, if I want to plot
the HOMO and LUMO of a semi-conducting system, is it possible to find
these orbitals from the set of MLWO calculated with W90?
Thank you for your help.

Seunghwan Lee
University of North Carolina


      



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