[Thermo_pw-forum] Symmetry

Francisco Wellery Nunes Silva wellery at fisica.ufc.br
Wed Jun 24 20:56:11 CEST 2020


Dear thermo_pw users,

I was wondering if there is any program to ensure the geometry of a system
before carring out a calculation. I've been using FINDSYM however, in spite
the symmetry found to be ok, in the calculation thermo_pw crashes under the
following error :

     from set_irr_sym_new : error #       111
     wrong representation

Thanks in advance,
Wellery.
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