[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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