[Pw_forum] Band structure calculation

[Bertrand SITAMTZE]

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 Yaoundé I-Cameroon
PO Box 812 Yaoundé-Cameroon
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