[Wannier] Issue with wannier90 interface of vasp

[Protik Das]

Hi everyone,

I am trying to compile wannier90 interface (v2.0.1) with vasp (v5.4.1). I
am compiling both vasp & wannier90 with intel MKL libraries. The
compilation was successful alright. But when I try to run some calculations
the vasp part of calculations goes well but the wannier90 part stops. I am
trying to reproduce the process described here:
http://cms.mpi.univie.ac.at/wiki/index.php/Bandstructure_of_Si_in_GW_%28VASP2WANNIER90%29
. I am getting the errors at step 3 Let me tell you what I have tried so
far.

First the calculation exited while "Setting up k-point neighbors" & it
threw segmentation fault with signal 11. Then I followed this instruction (
http://cms.mpi.univie.ac.at/vasp-forum/viewtopic.php?p=14094&sid=ff743589a8f3dece3c90d09ecd06ad33#p14094)
from vasp forum & removed the optional variables from src/wannier_lib.F90
as instructed.

Now I am getting an error saying " Error: dis_spheres_first_wann is larger
than num_bands-num_wann+1 " in wannier90.wout .

I have tried some of the examples from the examples directory of wannier90
with wannier90.x and they seem to be working fine. This issue occurs only
when I am trying to use wannier90 interface with vasp. Any clue on how to
solve the issue?

I really appreciate your help on this.
-- 
Protik Das,
ECE Graduate Student,
LATTE (http://latte.ece.ucr.edu),
University of California, Riverside.
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