[Wien] Plot bandstructure error!!!

[Arin]

Thanks.
My calculation contains 22 atoms with a P1 space group. After scf, I just
followed the basic steps to calculate band. I inserted the EF and changed
the E-window in case.insp file, then ran x spaghetti -c -so. I clicked the
"plot band structure" button, and I can't see the fig, just a red cross
image. I downloaded the hardcopy in postscript format then open it with
acrobat distiller (I can't open it with gv either), the error information is
this:

%%[ Warning: Times-Roman not found, using Font Substitution. Font cannot be
embedded. ]%%
%%[ Error: stackoverflow; OffendingCommand: 0.2 ]%%

Stack:
[0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0.....
I can see the case.spaghetti_ps file. It is not empty and there is a
"showpage" in the last line. But the last part of this file is all zero like
this:
" .........
 .........
0.0 c13
0.0 c14
0.0 c15
0.0 c16
0.0 c17
0.0 c18
stroke
showpage "
btw. the error files are all empty.
So what's the reason for this problem? Any suggestions will be appreciated.
 Best wished! Arin

 2005/11/9, Peter Blaha <pblaha at theochem.tuwien.ac.at>:
>
> 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.inspfile,
> > 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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> > > Wien mailing list
> > > Wien at zeus.theochem.tuwien.ac.at
> > > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> > >
> >
>
>
> 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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