Warning message in HSE run: Your generating k-point grid is not commensurate to the symmetry of the lattice.

166 views
Skip to first unread message

KK

unread,
Aug 23, 2020, 12:43:40 AM8/23/20
to VASP-SimulationPackage-Users
Hi
can anyone suggest to understand the issue with the WARNING message while doing HSE band structure ?

Your generating k-point grid is not commensurate to the symmetry       |
|      of the lattice.  This can cause   slow convergence with respect        |
|      to k-points for HF type calculations                                   |
|      suggested SOLUTIONS:                                                   |
|       ) if not already the case, use automatic k-point generation           |
|       ) shift your grid to Gamma (G) (e.g. required for hex or fcc lattice)

i seen in google some post regarding this in researchgate, but not clear. 

Thanks.

Reply all
Reply to author
Forward
0 new messages