[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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