[Pw_forum] The question of "warning: symmetry operation # 2 not compatible with FFT grid"

wang yanchao wyanchao at gmail.com
Tue Dec 30 07:23:30 CET 2008


Dear all,

When I calculated the Raman of the structure which spacegroup is Fddd, I met
a question of  "warning: symmetry operation #  2 not compatible with FFT
grid" and "warning: symmetry operation #  5 not allowed.   fractional
translation:
      -0.2500000 -0.2500000 -0.2500000  in crystal coordinates".
 I have changed the value of ecutrho, and nr1,nr2,nr3,  but all isn't work.
Because  I  calculate  the Raman,   I  think  if  I can't get  the  correct
the  symmetry  operation , the result of raman will be not correct. So I
want to know if there are some helpful  suggestions. It  appreciate you if
you can help me. Thank you very much in advance.

Sincerely

-- 
Yanchao Wang
National lab of Superhard Materials,JiLin Univ.Changchun 130012,P.R.China
Email:wyanchao at gmail.com <Email%3Awyanchao at gmail.com>
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