[Wien] Limit in bandsup/dn.agr

[Peter Blaha]

This is done in SRC_spaghetti.

I'm not the author of that nor do I use xmgr personally, but it seems to be a trivial
fix.

In spag.f    change the format 225  to:

  225  format(/,' # bandindex:',1i4)

Am 18.05.2011 16:06, schrieb Kamil Klier:
> Dear Colleagues and Prof. Blaha,
>
> There appears to be a limit of bandindex:999 in bandsup/dn.agr (no space between : and 999]. For large supercells, this limit truncates the calculated band structure data
> generated by spaghetti [-so]-up/dn -p -band. Can this be modified by the user and if so, in which subprogram?
>
> Thanks in advance,
>
> Kamil Klier
>
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                                       P.Blaha
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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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