[Wannier] 𝛤-point calculation
bhandary at ifp.tuwien.ac.at
Fri Oct 28 16:13:17 CEST 2016
Dear Wannier90 Developers and Users,
I am trying to calculate WFs for a molecule. It crashes already at pre-processing saying :
'kmesh_get: something wrong, found too many nearest neighbours’
I have attached the .win file for your convenience.
Could you please point where am I going wrong ?
P.S. With a very similar .win file it has no problem for Benzene molecule.
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