[QE-developers] Patch to modify the pw.x behavior at user-provided k-point list

[Pietro Delugas]

yes sorry,

if the k-points are in the irreducible wedge, the set has not the right 
symmetry

On 16/11/18 10:57, Lorenzo Paulatto wrote:
>> 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.
>
>
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