Dear all,
It happens sometimes to have a non-standard population of bands
calculated with Espresso. E.g., in the Journ. Phys. Cond. Matter, 19
(2007) 425218 the conductivity band of semiconducting LiH was populated
with a small number of doping electrons, VCA approximation. My case is that
I need, within non-scf scheme, a hole in the valence band of a
semiconductor and electron in the conductivity band. I wonder if there is a
simple tool in Espresso to perform such trick?
Vladlen P. Zhukov, Prof.
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