[Pw_forum] Does symmetry depend on ecutrho?

Paolo Giannozzi 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?

http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/node19.html#SECTION000600190000000000000
See also the previous (5.0.0.18) and the following (5.0.0.20) item

P.
-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222 




More information about the users mailing list