[Wannier] Error in Wannier90: kmesh_get: something wrong, found too many nearest neighbours

[Soumyadeep]

Dear All,
    I am facing following error in a Wannier-90 calculation,
    running wannier90 -pp for Ba22... kmesh_get: something wrong, found 
too many nearest neighbours
    Error on node 0: examine the output/error files for details
    Error condition encountered during test: exit status = 1
    Aborting

    As per previous discussions in the mailing list I have changed the 
parameter "kmesh_tol" from default (10xdefault, 100xdefault, 
0.1xdefault,0.01xdefault). But all of these efforts leads to same error 
message. I have also changed the DFT kmesh from 16x16x16 to 16x16x6, but 
no improvement. I have attached all the necessary files with the mail.

    Please help me overcome this error.

with many thanks and best regards
Soumyadeep
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Soumyadeep Ghosh,
Senior Research Fellow,
Homi Bhabha National Institute (HBNI),
Raja Ramanna Centre for Advanced Technology, Indore, India-452013
Mob: (+91)9424664553
User Lab: 0731244-2580
Email: soumyadeepghosh35 at gmail.com, soumyadeep at rrcat.gov.in
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