Page 1 of 1

Error in wannier calculation using VASP6.4.1

Posted: Mon Nov 20, 2023 6:09 am
by nirmal_ganguli2
In the calculation for generating Wannier input(.win, .amn, .mmn) files using VASP 6.4.1, the following error is showing in the output.
" kmesh_get_bvector: Not enough bvectors found "

Kindly help me out to resolve this problem.
Necessary files are attached herewith.
Thank you

Re: Error in wannier calculation using VASP6.4.1

Posted: Mon Nov 20, 2023 7:37 am
by henrique_miranda
Thank you for reporting this issue.
I will look into it.

But before continuing, could you check if your POSCAR has enough precision?
https://www.vasp.at/wiki/index.php/POSC ... d_symmetry
There is a very close structure that has higher symmetry.
You can generate this structure using the Python script indicated in the wiki section.
I am attaching it here as well