[Pw_forum] 6 symmetry operators not found in MgCl2

Paolo Giannozzi paolo.giannozzi at uniud.it
Sun Dec 22 14:51:07 CET 2013


On Sat, 2013-12-21 at 21:10 -0800, david Foster wrote:

>  The structure has 12 symmetry operators [...]
>  However, QE only shows 6 symmetry operators.

see the user guide, sec. "Troubleshooting", item 5.0.0.19
http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/node19.html#SECTION000600190000000000000

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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