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

[Paolo Giannozzi]

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
http://www.pwscf.org/guide/2.1.2/html-node/node57.html

>   warning: negative or imaginary core charge    -0.000004    0.000000

harmless: if you search the archives of pw_forum you will find for instance:
http://www.democritos.it/pipermail/pw_forum/2004-July/001127.html

Paolo

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Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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