[Wannier] Fwd: Re: Fwd: HOMO - LUMO orbital plot with WANNIER90

Lorenzo Paulatto paulatz at gmail.com
Fri Mar 8 12:58:06 CET 2019

>> I would like to represent the HOMO and LUMO for my molecule as in the 
 > mp_grid = 1 1 1
 > begin kpoints
 > 0.000000000000 0.000000000000 0.000000000000
 > end kpoints

Dear Franck,
if you are using a single k-point, the Wannier functions are just the 
periodic part of the Bloch waves. I'm sure that even with VASP you can 
plot those.

kind regards

Lorenzo Paulatto - Paris

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