Dear all,
In subroutine selfen_phon_q(iq), the k-dependent phonon linewidth gamma_qv(k) is calculated. In each pool, gamma_qv(k)s
corresponding to different k-points that belonging to this pool are added together. The k-points are also distributed among
different pools. Thus subroutine mp_sum is called to finish the integral over the BZ, i.e. line-329 to line-335 in selfen_phon_q(iq).
My question is how to gather gamma_qv(k) without the summation on intrapool and interpool k-points.
And what is the sequence of these k-points in the code?
Should I call the subroutine poolgather or poolgather2? Could you plese give me some guidances? Thank you very much!
The reason for doing this is that I want to integrate gamma_qv(k) on q-mesh and phonon branch v to obtain gamma(k). With
gamma(k), we can figure out which Bloch state Psi_k has the largest contribution to lambda.
Thanks in advance!
Best wishes,
Miao Gao