Hi all,
I which to calculate the Band structure for an ionic conductor. But it seems as
there is something wrong.The structure has 222 electrons and 133 kohn-sham
states. The problem is that I dont know if I have to indicate the number of
bounds (nbnd) during the band calculation.
According to me, I should allow it and the code will consider it as the half of
electrons(Which could be very high in this case). But when I do? that, the code
runs until the line:
"Band structure calculation"
and continue running without writing anything
Please can somebody give me some hint about this?
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Bertrand SITAMTZE YOUMBI
Laboratory of material Sciences
Department of Physics
University of Yaound? I-Cameroon
PO Box 812 Yaound?-Cameroon
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