[Pw_forum] error message: from set_irr: error # 1, one mode is zero

xwzhang xwzhang at uestc.edu.cn
Thu Jun 25 14:13:02 CEST 2009


Dear my Pwscf friends:
When I am trying to do a series phonon calculations of fcc-Fe, at some of the lattice parameters, there is an error message:
%%%%%%%%%%%%%%%%%%%
from set_irr: error # 1
one mode is zero
%%%%%%%%%%%%%%%%%%%
in the output file of ph.x. 
How can it been remedied? I wonder, why just some of these calculations have this error? 

Regards

Dr. Wenxu Zhang

State Key Laboratory of Electronic Thin Films and Integrated Devices,
University of Electronic Science and Technology of China,
Chengdu 610054
China
Tel: +86-28-83201475
Fax: +86-28-83204938
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