[Wien] Wannier90 and the case_hr.dat file

[Tim Hackett]

Greetings,

I am working with the new Wannier90 program (v2.0.1) and the program bkq in
the crystal field parameters.  I have done the following steps in step 3:

x kgen -fbz
x lapw1 -orb (-p)
x  joinvec
write_inwf
write_win
x wannier90 -pp
made the case.fermi with one line containing the fermi number
x w2w (-p)
x wannier90

Wannier90 gives a case_hr.dat file that is used in step 4 to make the
output file case.outbkq, which is later copied.  The output from my system
starts as:

 written on 10Oct2016 at 17:27:56
           7
         195
    2    1    1    1    2    4    2    2    2    4    2    1    1    1    2
    2    1    1    1    2    4    2    2    2    4    2    1    1    1    2
    2    1    1    1    2    2    1    1    1    2    2    1    1    1    2
    2    1    1    1    2    2    1    1    1    2    2    1    1    1    2
    2    1    1    1    2    2    1    1    1    2    2    1    1    1    2
    2    1    1    1    2    4    2    2    2    4    2    1    1    1    2
    2    1    1    1    2    2    1    1    1    2    2    1    1    1    2
    2    1    1    1    2    4    2    2    2    4    2    1    1    1    2
    2    1    1    1    2    2    1    1    1    2    2    1    1    1    2
    2    1    1    1    2    2    1    1    1    2    2    1    1    1    2
    2    1    1    1    2    2    1    1    1    2    2    1    1    1    2
    2    1    1    1    2    4    2    2    2    4    2    1    1    1    2
    2    1    1    1    2    4    2    2    2    4    2    1    1    1    2
   -4   -2   -2    1    1    0.002444   -0.005910
   -4   -2   -2    2    1    0.002181   -0.005484
   -4   -2   -2    3    1    0.002696    0.007591
   -4   -2   -2    4    1   -0.002651    0.006366
   -4   -2   -2    5    1   -0.000832    0.003992
   -4   -2   -2    6    1    0.002011    0.003671

and continues for a total of 9571 lines.  In the example provided with
RECFP package, this file is completely different.

Can you tell me where I might have made a mistake?

Cheers,

-- 

Timothy A. Hackett

Research Associate I-X

Division of Materials Science & Engineering

Ames Laboratory, Iowa State University, Ames, IA 50011
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