[Wannier] Mismatch in kpt_latt vs. Non-symmetric k-point neighbour

[Vahid Askarpour]

Dear Wannier Community,

I am using VASP +HSE to generate the input files for a DOS calculation with postw90.x The structure is trigonal Ca2N. The procedure works for a 4x4x4 K-grid and I get the DOS. For a 6x6x6 grid, I can successfully generate the input files (.chk, .amn, .mmn, .eig) for postw90.x but when I run postw90.x, I get the following errors:

"Mismatch in kpt_latt" if I generate the kpoints in .win file with kmesh.pl. Here the kpoints are between 0 and 1.

 "Non-symmetric k-point neighbour" if I use the 216 kpoints in the OUTCAR. This set of kpoints is Gamma centred and includes both positive and negative values between -0.5 and 0.5.

Is there a way around these errors?

Thanks,
Vahid

Vahid Askarpour
Physics Department
Dalhousie University, Halifax, NS
CANADA