[Pw_forum] Does symmetry depend on ecutrho?
paolo.giannozzi at uniud.it
Wed Dec 11 17:59:31 CET 2013
On Wed, 2013-12-11 at 10:29 -0600, Jan Gryko wrote:
> Does symmetry determined by pw.x depend on euctwfc/ecutrho?
> I am attaching two input files, T_30.in and T_50.in.
> With ecutwfc=30, ecutrho=120 (file T_30.in), pw.x correctly finds 48 symmetry operations, whereas
> with ecutwfc=50, ecutrho=200 (file T_50.in) only 24 symmetry operations are found.
> Any suggestions why?
See also the previous (18.104.22.168) and the following (22.214.171.124) item
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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