Dear All,
Is there any way/trick to move electron(s) from somewhere in the valence band (say, at -4 eV w.r.t. the Fermi level, or from a certain orbital) to the conduction band?
Thanks.
remove electrons from the valence band
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user
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remove electrons from the valence band
Last edited by user on Fri Mar 16, 2007 6:24 pm, edited 1 time in total.
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admin
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remove electrons from the valence band
you can choose the occupancies of the states by hand ( FERWE, FERDO), but please be aware that this has to be done for all states (i.e, if you have more than just the Gamma point, there is an additional loop over the k-points)
Last edited by admin on Thu Mar 22, 2007 12:56 pm, edited 1 time in total.