[Pw_forum] 6 symmetry operators not found in MgCl2

Paolo Giannozzi paolo.giannozzi at uniud.it
Mon Dec 23 15:14:48 CET 2013


On Mon, 2013-12-23 at 05:39 -0800, david Foster wrote:

> Does this subject (ignoring some symmetry operations) changes final energy.

No, it shouldn't

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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