[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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