[QE-developers] Patch to modify the pw.x behavior at user-provided k-point list
Lorenzo Paulatto
paulatz at gmail.com
Fri Nov 16 10:57:21 CET 2018
> if your kpoint are provided as a list, the k-point set has the right
> symmetry and the proportions between the weights is the right one,
> maybe you can try using nosym = .true. and use_all_frac = .true.
>
I'm not sure this will work, because the code would not symmetrize (i.e.
rotate+sum+average) the charge density and related quantities.
--
Lorenzo Paulatto - Paris
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