[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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