[Wien] Plot bandstructure error!!!

[Peter Blaha]

We can't hardly give any suggestions, when you do not provide details.

> > > k-path with xcrysden, then calculated the band structure:
> > > x lapw1 -c -band
> > > x lapwso -c
> > > x spaghetti -so -c

These steps look basically ok. If there was no error message, it should have
produced a file case.spaghetti_ps
Have you looked into that file ? Is it empty ? does it have a "showpage" in the
last line ?
Did you change anything in the case.insp file (besides putting the correct EF)?
What means "cannot plot bandstructure" ?

have you tried    gv case.spaghetti_ps   ?
Do you get any error message ?

More than 850 other users seem to have no problems.



> I didn't ran irrep.
> I just followed the steps: lapw1, lapwso, then edited the case.insp file,
> then spaghetti.
> I asked someone else before. They seemed to have the same question,
> especially for complex calculation with a lot of atoms.
> How can I fix this problem? Any suggestions?thanks
> 
> 
>  2005/11/9, Peter Blaha <pblaha at theochem.tuwien.ac.at>:
> >
> > Could it be that you ran irrep before ?
> >
> > spaghetti will crash if you have an old case.irrep file (one which does
> > not
> > fit to the current outputso file).
> >
> > remove any case.irrep* file and run spaghetti again.
> >
> > Any other message, when you run spaghetti ???
> >
> > > I am doing a complex calculation with SO. After calculation, I selected
> > the
> > > k-path with xcrysden, then calculated the band structure:
> > > x lapw1 -c -band
> > > x lapwso -c
> > > x spaghetti -so -c
> > > Finally I plotted the band structure, but it could not be displayed. I
> > > downloaded the .ps file and there was an error when I opened this file.
> > I
> > > can see the eigenvalues in case.outputso file but can't plot the band
> > > structure.
> > > It is the newest version of wien2k. I remember when I used an old
> > version,
> > > the band could not be plotted either, but sometimes I could open the .ps
> > > file to plot the band. Now I don't know what is the reason. Can anybody
> > give
> > > me a hint? Or this is a bug of the program? I appreciate your help!
> > > Best Regards
> > > Arin
> > >
> >
> >
> > P.Blaha
> > --------------------------------------------------------------------------
> > Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> > Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
> > Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/
> > --------------------------------------------------------------------------
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> >
> 


                                      P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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