[Wien] band structure: spaghetti error

yxl@email.jlu.edu.cn yxl at email.jlu.edu.cn
Thu Jul 26 08:12:50 CEST 2007


Dear users,
    I want to calculate bandstructure with band character plotting with Version2007 wien2k, my steps are:
  x lapw1 -band -c -p -up
  x lapw2 -band -qtl -c -p -up
 vi case.insp
 x spaghetti -p -up
the following error appears:
  number of k-points read in case.vector=          53
         ERROR reading QTLs:
  band:         345  k-point:          54
  execution continued ....
SPAGH END
0.441u 0.287s 0:00.73 98.6%	0+0k 0+0io 0pf+0w

I also got the band structure, but without band character.
I checked there are no old .irrep files.
I wonder why.
Any suggestions will be appreciated.
                                                                                      yours sincerely,
                                                                                              hongxia


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