[Pw_forum] e-p calculation on customised K-mesh

[Ajit Vallabhaneni]

Dear Users,

             I want to know if it is possible to perform e-ph calculations on a system whose K-mesh is asymmetric and not specified by Monkhorst-pack. All the e-ph examples i have come across used M-P grid of some size. 

I want to do some e-ph calculations on graphite where i want the K-mesh to be dense around some K-points in the BZ. I tried to develop K-points outside QE and ran the scf calculations which run perfectly ok. But when i ran an e-ph calculation with q=(0,0,0) , it was terminated with the message:



     stopping ...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from lint : error #         1
     cannot remap grid on k-point list

  Since q=0, the program does not need the energies at new k-states other than my initial K-points. I am confused about this remapping of grid. Can someone help me with this?

Thanks
Ajit