[Pw_forum] on nosym=.true.

Eyvaz Isaev eyvaz_isaev at yahoo.com
Wed Nov 24 12:47:24 CET 2010


From: Mahmoud Payami <mpayami at aeoi.org.ir>

 
>>Do you mean "Warning: symmetry operation #N not >allowed"? This is  not an 
>>error, but simply a warning, 
 
>Yes, it is.

But this causes lowered symmetry that also leads to increased number of 
k-points.
  

>How can I constrain the system just ignore  symmetry operations wrt the >xoy 
>plane (because the z coordinates  change)?

If you mean changes only along Z-direction add cell_dofree=z. For ore info 
please  have a look at INPUT_PW,txt in /Doc.

Bests,
Eyvaz.


      
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