[QE-users] Doubling the k points - reg

singaravelan T R trsingaravelan27 at gmail.com
Thu Jul 2 14:52:56 CEST 2020


Respected sir/madam,
If I am doing scf calculation say for silicon, then for nscf calculation do
I need to double the no of k points.
For eg: optimized k points for Si. for scf calculation is 4 4 4 0 0 0
Then for nscf calculation k points is 8 8 8 0 0 0
Is my argument is correct, please rectify?
With thanks,
Singaravelan T R
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