PwBandsWorkChain
: Fix nbnd
for spin-polarised calculations
#875
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Fixes #874
When running spin-polarised calculations (
nspin != 2
) with thePwBandsWorkChain
and providing annbands_factor
, the number of bands should not be doubled, since QE doubles the number of treated k-points instead.Here we fix the
PwBandsWorkChain
by removing thenspin_factor
from the equations to determine the number of bands for thebands
calculation in the work chain.