[Pw_forum] Symmetry not recognized in spin-orbit calculations

[Andrea Dal Corso]

Thank you for reporting this. There was actually a problem with rounding
errors in the search of point group symmetry. Now I corrected the bug in
the SVN version.

Andrea 


On Wed, 2014-11-26 at 17:27 -0500, Lin, Yangzheng wrote:
> Thanks Paolo, I got another solution too by modifying the lattice
> parameters a little bit to,
> 
> CELL_PARAMETERS (alat=  1.00000000)
>    0.000000000   5.440045000   5.440045000
>    5.440045000   0.000000000   5.440045000
>    5.440045000   5.440045000   0.000000000
> 
> I don't know the reason, but the symmetry problem was solved.
> 
> Yangzheng
> 
> 
> On Wed, Nov 26, 2014 at 4:26 PM, Paolo Giannozzi <paolo.giannozzi at uniud.it>
> wrote:
> 
> > On Wed, 2014-11-26 at 13:09 -0500, Lin, Yangzheng wrote:
> >
> > >      Error in routine tipo_sym (1):
> > >      symmetry not recognized
> > > Does anyone know how to solve this problem?
> >
> > not really a solution but a workaround: remove the following line
> >
> > >   verbosity         = 'high',
> >
> > P.
> >
> > --
> > Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> > Phone +39-0432-558216, fax +39-0432-558222
> >
> > _______________________________________________
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> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
> >
> 
> 
> 
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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