[Pw_forum] wannier function

Stefano Baroni baroni at sissa.it
Fri Nov 26 03:48:48 CET 2010


Not sure i understand what you mean, but the "unoccupied charge density" (i.e. the sum of the squared moduli of the unoccupied orbitals is infinite, for whatever reason you may need it). Or you rather mean the squared modulus of a specific Wannier function obtained from specific energy bands above the Fermi energy? SB

On Nov 26, 2010, at 5:35 AM, wumindt2 wrote:

> Dear All,
> 
> I have a problem using the wannier90.x.
> Does the wannier90.x can plot the wannier function above the fermi level, i.e. the unocuppied charge density?
> 
> Thanks!
> 
> Min Wu
> 2010-11-25
> 
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> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum

---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
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