[Wannier] ERROR in hamiltonian_wigner_seitz

[Carmine Autieri]

Dear Wannier users, 

I am a Phd student and I am new on this forum. 
I am studying Sr2RuO4 and Sr3Ru2O7 and I want to calculate accurately hopping in the direction 100 and 010.
When I study Sr3Ru2O7 all is ok.
When I study Sr2RuO4, I find a problem for mpgrid = 8 8 2 or 10 10 4, but all is ok if I use
the same number of k-points in all directions (mpgrid = 6 6 6 or 4 4 4). I change only the grid of k-points. 


I get the following error as written to case.wout file for mpgrid= 8 8 2
 103 lattice points in Wigner-Seitz supercell:

      vector  -5   3  -2   degeneracy:  2
      vector  -4   1  -2   degeneracy:  1
      vector  -4   2  -2   degeneracy:  1
      vector  -4   2  -1   degeneracy:  1
      vector  -4   3  -1   degeneracy:  1
      vector  -4   3   0   degeneracy:  1
      vector  -4   4  -1   degeneracy:  4
      vector  -4   4   0   degeneracy:  2
      vector  -4   4   1   degeneracy:  4
      vector  -3   0  -2   degeneracy:  1
      vector  -3   1  -2   degeneracy:  1
      vector  -3   1  -1   degeneracy:  1
      vector  -3   2  -1   degeneracy:  1
      vector  -3   2   0   degeneracy:  1
      vector  -3   3  -1   degeneracy:  2
      vector  -3   3   0   degeneracy:  1
      vector  -3   3   1   degeneracy:  2
      vector  -3   4   0   degeneracy:  1
      vector  -3   4   1   degeneracy:  1
      vector  -3   5   2   degeneracy:  2
      vector  -2  -1  -2   degeneracy:  1
      vector  -2   0  -2   degeneracy:  1
      vector  -2   0  -1   degeneracy:  1
      vector  -2   1  -1   degeneracy:  1
      vector  -2   1   0   degeneracy:  1
      vector  -2   2  -1   degeneracy:  2
      vector  -2   2   0   degeneracy:  1
      vector  -2   2   1   degeneracy:  2
      vector  -2   3   0   degeneracy:  1
      vector  -2   3   1   degeneracy:  1
      vector  -2   4   1   degeneracy:  1
      vector  -2   4   2   degeneracy:  1
      vector  -1  -2  -2   degeneracy:  1
      vector  -1  -1  -2   degeneracy:  1
      vector  -1  -1  -1   degeneracy:  1
      vector  -1   0  -1   degeneracy:  1
      vector  -1   0   0   degeneracy:  1
      vector  -1   1  -1   degeneracy:  2
      vector  -1   1   0   degeneracy:  1
      vector  -1   1   1   degeneracy:  2
      vector  -1   2   0   degeneracy:  1
      vector  -1   2   1   degeneracy:  1
      vector  -1   3   1   degeneracy:  1
      vector  -1   3   2   degeneracy:  1
      vector  -1   4   2   degeneracy:  1
      vector   0  -3  -2   degeneracy:  1
      vector   0  -2  -2   degeneracy:  1
      vector   0  -2  -1   degeneracy:  1
      vector   0  -1  -1   degeneracy:  1
      vector   0  -1   0   degeneracy:  1
      vector   0   0  -1   degeneracy:  2
      vector   0   0   0   degeneracy:  1
      vector   0   0   1   degeneracy:  2
      vector   0   1   0   degeneracy:  1
      vector   0   1   1   degeneracy:  1
      vector   0   2   1   degeneracy:  1
      vector   0   2   2   degeneracy:  1
      vector   0   3   2   degeneracy:  1
      vector   1  -4  -2   degeneracy:  1
      vector   1  -3  -2   degeneracy:  1
      vector   1  -3  -1   degeneracy:  1
      vector   1  -2  -1   degeneracy:  1
      vector   1  -2   0   degeneracy:  1
      vector   1  -1  -1   degeneracy:  2
      vector   1  -1   0   degeneracy:  1
      vector   1  -1   1   degeneracy:  2
      vector   1   0   0   degeneracy:  1
      vector   1   0   1   degeneracy:  1
      vector   1   1   1   degeneracy:  1
      vector   1   1   2   degeneracy:  1
      vector   1   2   2   degeneracy:  1
      vector   2  -4  -2   degeneracy:  1
      vector   2  -4  -1   degeneracy:  1
      vector   2  -3  -1   degeneracy:  1
      vector   2  -3   0   degeneracy:  1
      vector   2  -2  -1   degeneracy:  2
      vector   2  -2   0   degeneracy:  1
      vector   2  -2   1   degeneracy:  2
      vector   2  -1   0   degeneracy:  1
      vector   2  -1   1   degeneracy:  1
      vector   2   0   1   degeneracy:  1
      vector   2   0   2   degeneracy:  1
      vector   2   1   2   degeneracy:  1
      vector   3  -5  -2   degeneracy:  2
      vector   3  -4  -1   degeneracy:  1
      vector   3  -4   0   degeneracy:  1
      vector   3  -3  -1   degeneracy:  2
      vector   3  -3   0   degeneracy:  1
      vector   3  -3   1   degeneracy:  2
      vector   3  -2   0   degeneracy:  1
      vector   3  -2   1   degeneracy:  1
      vector   3  -1   1   degeneracy:  1
      vector   3  -1   2   degeneracy:  1
      vector   3   0   2   degeneracy:  1
      vector   4  -4  -1   degeneracy:  4
      vector   4  -4   0   degeneracy:  2
      vector   4  -4   1   degeneracy:  4
      vector   4  -3   0   degeneracy:  1
      vector   4  -3   1   degeneracy:  1
      vector   4  -2   1   degeneracy:  1
      vector   4  -2   2   degeneracy:  1
      vector   4  -1   2   degeneracy:  1
      vector   5  -3   2   degeneracy:  2
 Exiting.......
 ERROR in hamiltonian_wigner_seitz: error in finding Wigner-Seitz points

How can I solve this problem?

Thanks,
Carmine