The number of bands used is also printed on output as "Number of
Kohn-Sham states", setting spin=1 or spin=2 does not change the number
of bands, as the code uses an equivalent trick to double the number of
k-points.
On 01/09/17 13:26, Omamuyovwi Akemu wrote:
Choose a suitable value for nbnd.
Go to the scf output, look out for the number of electrons.
nbnd > or = number of electrons divided by 2.
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Dr. Lorenzo Paulatto
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