[Pw_forum] second call: A problem in calculating x phonons
Abdullah N. Albarakati
anbarakati at uqu.edu.sa
Fri Sep 30 03:09:00 CEST 2016
Dear experts,
I want to calculate x photons as described below:
first run scf calculation, then a nscf calculation, then a ph.x run for a while and then stopped.
the output is below:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine set_irr_sym_new (5722):
wrong representation
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
what should I do?
thank you in advance,
Abdullah
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