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<DIV><FONT face=Arial size=2> Dear all, </FONT></DIV>
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<DIV><FONT face=Arial size=2> 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?</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial
size=2>
Vladlen P. Zhukov, Prof.</FONT></DIV>
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size=2> </FONT></DIV>
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