[Wannier] kmesh_get: something wrong, found too many nearest neighbours

Hoang Minh Nguyen Duy nguyenduyhoangminh at gmail.com
Thu Mar 25 06:16:53 CET 2021


Dear All,

I am computing the band structure of TaAs with Wannier90 and have
encountered the error posted by Jia Chen. I tried reducing the kmesh_tol to
0.0000001 and 0.00000001 but the problem remains.
My scf and nscf calculations use the lattice vectors corresponding to
ibrav=7 (Quantum Espresso).
If you have any idea where my mistake is, please let me know!

Kind regards,
Minh.
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