[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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