[Pw_forum] symmetry operation # not compatible with FFT grid

[Subhradip Ghosh]

I am trying to run self-consistent calculations on a heusler structure
with tetragonal distortion i.e. c/a=1.2. In the very beginning I am
getting the following warnings:


 warning: symmetry operation #  2 not compatible with FFT grid.
   0   1  -1
   1   0  -1
   0   0  -1
     warning: symmetry operation #  3 not compatible with FFT grid.
   0  -1   1
   0  -1   0
   1  -1   0
     warning: symmetry operation #  4 not compatible with FFT grid.
  -1   0   0
  -1   0   1
  -1   1   0
     warning: symmetry operation #  5 not compatible with FFT grid.

What could be the cause for this and how to get rid of it? I ran
calculations with c/a=0.9 and c/a=1-the warning didn't ocuur. But it is
coming up with c/a=1 and c/a=1.2.

Subhradip

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              Dr. Subhradip Ghosh
              Assistant Professor
              Department of Physics
            Indian Institute of Technology
               Guwahati,Assam-781039
                    India
               E-mail:subhra at iitg.ernet.in
               Phone: +91 361 2582717(O)
                      +91 361 2584717(R)
                Fax:  +91 361 2582749 (Physics)
                      +91 361 2690762 (General)
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