[Pw_forum] symmetry not recognized
Andrea Dal Corso
dalcorso at sissa.it
Thu Feb 14 10:44:40 CET 2013
This error usually indicates that ph.x has some difficulty to recognize
the symmetries in your system. You can skip this check and continue the
phonon calculation as in previous versions of the code by
using the flag search_sym=.false., but often the phonons are wrong in
these cases, so it would be better to understand if the symmetry group
found by pw.x and by ph.x is correct or not.
HTH,
Andrea
On Wed, 2013-02-13 at 13:33 -0500, Jennifer Wohlwend wrote:
> My goal is to use epw.x but when I was trying to first complete the
> ph.x calculation I kept running into this error:
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> %%%%%%%%%
> from tipo_sym : error # 1
> symmetry not recognized
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> %%%%%%%%%
> stopping ...
> I checked the forum concerning this error but as expected the
> misplaced parenthesis had been fixed in the 4.0.3 version (only using
> such an old version b/c epw.x requires it). After encountering this
> error while testing an epw.x example I tried a pwscf example02 that
> utilizes ph.x (from version 4.0.3; The example shows how to use pw.x
> and ph.x to calculate phonon frequencies at Gamma and X for Si and C
> in the diamond structure and for fcc-Ni.) and I received the same
> error.
> Any help would be much appreciated!
> Thank you,
> J. Wohlwend
>
> Universal Technology Corporation
>
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--
Andrea Dal Corso Tel. 0039-040-3787428
SISSA, Via Bonomea 265 Fax. 0039-040-3787249
I-34136 Trieste (Italy) e-mail: dalcorso at sissa.it
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