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
