[Pw_forum] question about the warning of symmetry operation not allowed

Paolo Giannozzi giannozz at nest.sns.it
Fri Mar 4 10:45:56 CET 2005

On Friday 04 March 2005 03:23, Shaorui Sun wrote:

>     ecutwfc = 80.0

wow! 80 Ry for Ge ? you must have big computer facilities

>      warning:symmetry operation #  5 not allowed  fractional translation:

harmless, explained in the manual: see
http://www.pwscf.org/guide/2.1.2/html-node/node56.html and also

>   warning: negative or imaginary core charge    -0.000004    0.000000

harmless: if you search the archives of pw_forum you will find for instance:


Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy

More information about the users mailing list