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

[Paolo Giannozzi]

On Sun, 2012-03-18 at 15:31 -0400, Ajit Vallabhaneni wrote:

> 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)

I don't think you can use a non-uniform grid with the current 
('interpolation') algorithm. It might be feasible with the old
'simple' algorithm, available again in the SVN version (see variable 
"electron_phonon", replacing "elph")

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy