[Wien] Spaghetti Error: Not treated with irrep

[Ghosh SUDDHASATTWA]

Dear Wien2k Users, 

On my earlier question in the mailing list on the error I got when I ran
Spaghetti, I changed the default settings in the case.insp file after I
deleted case.iirep and case,qtl 

5.0    3.0 

10.0 15.0

1.0 4 

1.0 4 

0 0 4 

 

-14.0 8.0 2 

1 0.64692 

1 992 

0 1 0.2

 

I got the bandstructure for the orthorhombic case. 

However, the dotted lines are not as bold as I want. Can anybody tell me as
to how we can make it bold. 

 

Suddhasattwa Ghosh 

 

  _____  

From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Ghosh
SUDDHASATTWA
Sent: Saturday, April 24, 2010 11:46 AM
To: 'A Mailing list for WIEN2k users'
Subject: [Wien] Spaghetti Error: Not treated with irrep

 

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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