[Pw_forum] problem with ph.x in calculating x-point phonon
Abdullah N. Albarakati
anbarakati at uqu.edu.sa
Sun Sep 25 21:16:11 CEST 2016
Dear Experts,
I hope all of you have a wonderful time,
I used ph.x code to calculate photon of cubic phase (contain 40 atoms)at x-point. After running for a while, the code stopped and I got this message,
( the Fermi energy is 9.8719 ev
Writing output data file ZovZu.save
Possibly too few bands at point 1 0.16667 0.16667 0.16667
Possibly too few bands at point 2 0.16667 0.16667 1.16667
Possibly too few bands at point 3 0.16667 0.16667 -0.50000
Possibly too few bands at point 4 0.16667 0.16667 0.50000
Possibly too few bands at point 5 0.16667 -0.50000 -0.50000
Possibly too few bands at point 6 0.16667 -0.50000 0.50000
Possibly too few bands at point 7 -0.50000 -0.50000 -0.50000
Possibly too few bands at point 8 -0.50000 -0.50000 0.50000
Possibly too few bands at point 9 -0.50000 0.16667 0.16667
Possibly too few bands at point 10 -0.50000 0.16667 1.16667
Possibly too few bands at point 11 -0.50000 -0.50000 0.16667
Possibly too few bands at point 12 -0.50000 -0.50000 1.16667
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine set_irr_sym_new (5722):
wrong representation
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ... )
What do I have to do?
Thank you in advance,
Abdullah
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