[QE-users] Doubling the k points - reg
Lorenzo Paulatto
paulatz at gmail.com
Thu Jul 2 15:10:07 CEST 2020
> Then for nscf calculation k points is 8 8 8 0 0 0
> Is my argument is correct, please rectify?
You should use the opportune number of k-points for each calculation by
doing proper test convergence and analyzing the results with your brain.
Blindly multiplying by two is not a good idea.
kind regards
> With thanks,
> Singaravelan T R
>
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Lorenzo Paulatto - Paris
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