[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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