[Pw_forum] The question of "warning: symmetry operation # 2 not compatible with FFT grid"
wyanchao at gmail.com
Tue Dec 30 07:23:30 CET 2008
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
-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.
National lab of Superhard Materials,JiLin Univ.Changchun 130012,P.R.China
Email:wyanchao at gmail.com <Email%3Awyanchao at gmail.com>
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users