[Wannier] (no subject)

Nandan Tandon nandan.tandon at gmail.com
Wed Mar 28 23:15:44 CEST 2012


I am trying to generate Wannier functions for GaAs where the nscf calculation is
done on a grid with shifted k-mesh. The program fails with message
" Exiting.......
 kmesh_get: something wrong, found too many nearest neighbours".

Before this there are warnings
"**WARNING: kmesh has found >12 nearest neighbours**"

This does not appear when i use a Gamma included k-mesh.

Is there a way around, or am i doing something wrong.

Wannier90 is being used as a library within the EPW calculations.



Nandan Tandon
Department of Physics,
Worcester Polytechnic Institute,
100 Institute Road,
Worcester, MA

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