[QE-users] Doubt regarding the k - points between scf and nscf

[singaravelan T R]

Dear all,
I asking this for third time any one please reply

Qn: If I perform k-point optimisation of silicon and obtained 4×4×4 is the
best k point value. (Converged value)
After running scf calculation, if I am doing ' nscf  ', should I double the
k points for nscf. ?

Eg: For scf if I have k-point as 4×4×4
       Then in case of 'nscf' the k -point should be 8×8×8.
Is it correct or wrong or when I can double the k ?point.
With thanks
Singaravelan T R
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