[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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