[Wannier] Wannier90 Post Processing with VASP

[Francis Coen]

Hello all,

I am currently trying to do post-processing with Wannier90, in a directory
containing the files wannier90.eig wannier90.amn wannier90.mmn
wannier90.nnkp and wannier90.win . I am interfacing with a VASP calculation
that uses spinors. When entering the command:

Wannier90.x Wannier90.win

I receive the following output in the terminal:

Neighbour not found
 Error on node 0: examine the output/error files for details
Abort(1) on node 0 (rank 0 in comm 0): application called
MPI_Abort(MPI_COMM_WORLD, 1) - process 0

Upon inspecting wannier90.wout I see the following :

Reading overlaps from wannier90.mmn    : File generated by VASP: Au1Bi1Na2

 Error reading wannier90.mmn:       2    1  187   0    0  0  0
 Exiting.......
 Neighbour not found


>From some research that I've done, it seems that as of a few years ago
there were issues RE the interface between Wannier90 and VASP when using
spinors. Is that accurate? And is there any course of action that anyone
might recommend here? I'm ultimately trying to construct the Hamiltonian.
Can provide more information about these files and calculations upon
request.

Thanks very much for your time and help.

Regards,
Frank Coen
University of Pennsylvania
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