[Pw_forum] Error with neb.x

Paolo Giannozzi giannozz at democritos.it
Sat Feb 9 15:15:06 CET 2013


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.
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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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