[Pw_forum] symmetry operations

Paolo Giannozzi giannozz at democritos.it
Fri Aug 21 10:27:28 CEST 2009


On Aug 21, 2009, at 9:51 , Marcello Rosini wrote:

> I noticed this apparent inconsistency with pw.x: when I start a relax
> calculation the output says
> 6 symmetry operations and point group C_3v
> when restarting the same calculation, the output says
> 2 symmetry operations and point group C_s

please provide an example that can be re-run and a description
of the procedure you followed

Paolo
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222





More information about the Pw_forum mailing list