Dear Users
I have few doubts regarding implementation of Phonon with qe
1. Does the k grid value affect spectra results in general or can we set a
small grid like (2,2,2) ?
2. Does supercell change the spectra in any other way instead of just
increasing mode?
Thank You.
Satya
Research Schol
Dear Iurii,
I rerun the hp.x using q-e-qe-7.0. I could avoid the same crash if I use a
dist_thr=7.0 in the hp.in which seems to me quite large. Also some of the U
parameters come out negative and some are "**” which I guess they are
too large for the format.
I will keep digging into th
