[Wien] Spaghetti Error: Not treated with irrep
Ghosh SUDDHASATTWA
ssghosh at igcar.gov.in
Sat Apr 24 08:15:54 CEST 2010
Dear Wien2k users,
I was working on an orthorhombic lattice (Space Group 70: Fddd(origin choice
2) with 20000 k-points without spin orbit coupling. The SCF cycle converged
without any qtl errors.
During the bandstructure plotting, I got the following error when I ran
spaghetti program
Number of k-oints in case.vector =111
k-point nr 1 not treated with irrep
k-point nr 81 not treated with irrep
k-point nr 82 not treated with irrep
k-point nr 83 not treated with irrep
k-point nr 84 not treated with irrep
.............
k-point nr 101 not treated with irrep
here 21 Ci
here 80 C2v
SPAGH END
I could not plot the bandstructure. In fact, I totally created a new session
and repeated the same thing. Still I got the same error.
Can any body tell me what do I have to do for getting the bandstructure?
Any suggestions would be of great help.
Suddhasattwa Ghosh
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