[Wien] Fatband calculation using relativistic basis

[Santu Baidya]

Dear wien2k users,

I am using wien2k version   WIEN2k_12.1 (Release 22/7/2012) to calculate
fatband in relativistic basis | j,l,s,mj > . I have found in user guide
that there is a file case.inq is to be modified and QSPLIT value should be
changed accordingly in the file.

What I did first
1)  x lapw1 -band -up -p
2) modified case.inq file
3) then x qtl -up -p


After that I ran spaghetti but it is showing error in case.qtlup :


number of k-points read in case.vector=         111
         error reading QTLs (inconsistent qtl-file):
  band:         253  k-point:         112
  execution continued without fat-bands ....
SPAGH END
0.310u 0.194s 0:00.50 100.0%    0+0k 0+14088io 0pf+0w


Can anyone tell me the exact procedure to calculate fatband in relativistic
basis.

Thanks in advance,

Santu Baidya
SRF, SMPMS
SNBNCBS
Kolkata



*"The happiest people do not always have the best of all,* * they simply
appreciate  what they find on their way!!!" SANTU
*
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