phonon fails in reading the charge density from scf calculation when phonons at Gamma are computed after other q points
Issue reported in the user mailing list by Hari Paudyal.
When running phonon with qplot=.true. and q_in_band_form = .true. and using Gamma as an intermediate point, ph.x fails to read scf charge density and starts the nscf calculation from a superposition of free atoms and performing a meaningless calculation.
This does not happen using nq1 nq2 and nq3, but in this case Gamma is computed as first.
Two points to be solved to fix the issue:
- Should phonon stop when reading a starting charge density fails ?
- Why the reading of the starting density fails ?
Edited by Pietro Delugas