[Pw_forum] Error during phonon calculation

adurajski at wip.pcz.pl adurajski at wip.pcz.pl
Fri May 26 14:59:26 CEST 2017


Dear QE users,

During the phonon calculation in QE 6.0 I got the following error:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine set_irr_sym_new (1122):
     wrong representation
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

My cubic system consists of 64 atoms. Relax and SCF calculations were done
correctly.

Do you have any suggestion how resolve this problem?

Thanks in advance.

Artur
-- 
Institute of Physics
Czestochowa University of Technology




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