[Pw_forum] Method to interpolate q-mesh in calculation of electron-phonon interaction.

Rakesh Parayil rakeshpw at protonmail.com
Wed May 24 06:03:30 CEST 2017


Dear all,

I would like to ask a question regarding the method to interpolate q-mesh as described in
arXiv:cond-mat/0504077 as implemented in Quantum espresso. To obtain an accurate result we should study the convergence of \lambda as a function of k-mesh and q-mesh. In that paper, the phonon linewidth convergence (Fig.9) is tested with different k-mesh, the authors interpolated for ex. from 16x16x16 to 64x64x64, practically this is done using "nk1, nk2.nk3" in ph.x input, is that correct?
Then the electron-phonon coupling \lambda is interpolated into denser grid q-mesh 8->20 (Fig. 10), could you please guide me how to do this interpolation with quantum espresso?

Sincerely,
Rakesh Parayil
--------------
PhD student,
Department of Physics,
National Central University
Taiwan
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