Dear QE users, I am trying to study the el-ph interaction in NbC, in particular I want to calculate the phonon line widths along high symmetry directions in the BZ. My input files work properly ( following example07). I am asking how can I accelerate the calculations. I am using 32 processors.
What make things slow is I can not use npool >1. since this is not implemented yet for el-ph calculations. (Note that: in scf calculations when I set -np 32 and -npool 32 I speed up the calculations by ~25 times, but this is not the case when I set npool 1). My question: is there away to make these calculation with less time, such as can I in elph calculations using ph,x run each q- point separately and then collect them.In order to do so what do I need to specify in my input files (*.elph.in, and q2r.in)? Kindest Regards, IYAD X-ray and Neutron Scattering Group Materials Science and Technology division ORNL -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120516/d2c3272b/attachment.htm
