[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.
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Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
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