Error in wannier calculation using VASP6.4.1

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nirmal_ganguli2
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Error in wannier calculation using VASP6.4.1

#1 Post by nirmal_ganguli2 » Mon Nov 20, 2023 6:09 am

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
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henrique_miranda
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Re: Error in wannier calculation using VASP6.4.1

#2 Post by henrique_miranda » Mon Nov 20, 2023 7:37 am

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
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