VERY BAD NEWS! internal error in subroutine IBZKPT rev.

[marsoner]

I have looked for this type of error on the forums and found there threads:
http://cms.mpi.univie.ac.at/vasp-forum/ ... .php?3.489
http://cms.mpi.univie.ac.at/vasp-forum/ ... php?3.7811

but I am not completely shure how to tackle the problem in my particular case.

I am using a K-grid with more than one K-point in only one spacial direction.

The calculations work fine for:
Automatic mesh
0
Gamma
1 8 1
0 0 0

but upon increasing the K-mesh to
Automatic mesh
0
Gamma
1 11 1
0 0 0

or

Automatic mesh
0
Gamma
1 10 1
0 0 0

i get the beloved:

VERY BAD NEWS! internal error in subroutine IBZKPT:
Reciprocal lattice and k-lattice belong to different class of lattices. Often results are still useful... 96

I have tired switching of the symmetry, but the errors persist. I have read in
http://cms.mpi.univie.ac.at/vasp-forum/ ... php?3.7811

that one can ignore the warnings in this case, but I would still be interested in knowing why they show up at all. Does it have to do with the ratios between the lattice vectors?

In my case they are indeed 1:8.

Can I now just go on using the 1 11 1 mesh without regard for the warnings? Do I need to switch of symmetry before doing so?

Thank you for your answer and best regards,
Marsoner

[support_vasp]

Hi,

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VASP