[Pw_forum] How to set variables when get symmetry operation # N not allowed?

[Arena Konta]

Hi All,

I read Troubleshooting and found out that "you can force your FFT grid
to be commensurate with fractional translation (set variables nr1,
nr2, nr3 to suitable values)". How to do this for the crystal
structure presented below? I have tried to this for various k-mesh,
but every time I get 6 symmetry operations are not compatible with FFT
grid:
 warning: symmetry operation # 2 not compatible with FFT grid.
  -1 0 0
   0 -1 0
  -1 -1 1
     warning: symmetry operation # 3 not compatible with FFT grid.
   0 -1 0
   1 0 0
   0 -1 1
     warning: symmetry operation # 4 not compatible with FFT grid.
   0 1 0
  -1 0 0
  -1 0 1
     warning: symmetry operation # 6 not compatible with FFT grid.
   1 0 0
   0 1 0
   1 1 -1
     warning: symmetry operation # 7 not compatible with FFT grid.
   0 1 0
  -1 0 0
   0 1 -1
     warning: symmetry operation # 8 not compatible with FFT grid.
   0 -1 0
   1 0 0
   1 0 -1

&SYSTEM
  ibrav = 0
  celldm(1) = 18.61847
  nat = 9
  ntyp = 2
/
CELL_PARAMETERS {alat}
  1.000000000000000 0.000000000000000 0.000000000000000
  0.000000000000000 1.000000000000000 0.000000000000000
  0.500000000000000 0.500000000000000 0.175193124160743

ATOMIC_POSITIONS {crystal}
A 0.304370000000000 0.373120000000000 0.000000000000000
A 0.626880000000000 0.304370000000000 0.000000000000000
A 0.695630000000000 0.626880000000000 0.000000000000000
A 0.373120000000000 0.695630000000000 0.000000000000000
A 0.000000000000000 0.000000000000000 0.000000000000000
B 0.055910000000000 0.282920000000000 0.000000000000000
B 0.717080000000000 0.055910000000000 0.000000000000000
B 0.944090000000000 0.717080000000000 0.000000000000000
B 0.282920000000000 0.944090000000000 0.000000000000000

K_POINTS automatic
10 10 18 0 0 0



-- 
with regards

Arena Konta
The Institute of Thermophysics in Novosibirsk Scientific Center
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