[Wien] fsgen and spaghetti

Peter Blaha pblaha at theochem.tuwien.ac.at
Fri Oct 6 17:23:38 CEST 2006


You are right (partly), it should now read "line 10".

Of course it does NOT talk about plotting bands that intersect EF, but 
about specifying some band indices, which print the corresponding bands 
to spaghetti_ene.

You have to figure out yourself which bands intersect EF . (You could 
look into case.scf, where the band ranges around EF are printed to find 
out that eg. bands 33-36 intersect EF.)

Larson, Paul M. schrieb:
> This problem may have been asked and answered many times, and I apologize if that is true, but I have noticed in the usersguide in section 8.19 on page 137 it states
> 
> "Run spaghetti with input-options such that it prints the bands which intersect EF to
> case.spaghetti ene (line 6, see sec. 8.3)"
> 
> So, I went to section 8.3 on pages 119 and 120 and I don't see anything on line 6 (or any of the other 
lines for that matter) which talks about plotting the bands that 
intersect EF.
> 
> Am I missing something?
> 
> 
> Paul Larson
> Department of Physics
> University of Missouri
> Columbia, MO  65211
> 
> 
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                                       P.Blaha
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