On 1/14/25 09:06, Dr. Sheharyar Pervez Assistant Professor FES wrote:
While using the |space_group| option for bands calculation, should | nbnd| correspond to the number of Kohn-Sham states for the symmetry inequivalent atoms or the total number of atoms in the unit cell?
the latter: total number of Kohn-Sham states in the system. "nat" instead is the number of _symmetry-inequivalent_ atoms in this particular case
Paolo
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