[Pw_forum] Error with neb.x

Mauro Sgroi maurofrancesco.sgroi at gmail.com
Mon Feb 11 08:23:31 CET 2013


Dear Paolo,
thanks a lot for the explanation. I will try to recompile as indicated.
Best regards,
Mauro.

2013/2/9 Paolo Giannozzi <giannozz at democritos.it>

>
> On Feb 8, 2013, at 16:31 , Mauro Sgroi wrote:
>
> > Error in routine set_sym_bl (1):
> >      Symmetry group not a group! Use standard orientations for axis
>
> funny. Unintended consequence of a recently added check. Thank
> you for reporting this.
>
> > How can I fix this problem?
>
> compile the modified version of PW/src/symm_base.f90, rev. 9957:
> http://qe-forge.org/gf/project/q-e/scmsvn/?action=browse&path=%2Ftrunk
> %2Fespresso%2FPW%2Fsrc%2Fsymm_base.f90&sortby=date&view=log
>
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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