[Wannier] error: kmesh_get_automatic

[Mohammed Ghadiyali]

Dear All,


I 'm getting an error:


Your cell might be very long, or you may have an irregular MP grid
Try increasing the parameter search_shells in the win file (default=12)


When I do increase the value of the search_shells, it continous to give me the same error till I increase the value till 57 and at 58 it gives me an error as:


 kmesh_get: something wrong, found too many nearest neighbours


The system I 'm working on is a bi-layer graphene, with a vacuum of 10 Angstrom on both top and bottom, which makes my unit cell quite large in z-direction. I also tried changing the k-point mesh form 15 X 15 X 1 to 10 X 10 X2, without any change.


I have attached my Quantum ESPRESSO inputs, wannier90 input and wannier90 output.


Regards,

Ghadiyali Mohammed Kader
Research Scholar
Department of Physics
University of Mumbai

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