[Wien] bandstructure calculation
Peter Blaha
pblaha at theochem.tuwien.ac.at
Wed Jun 11 09:23:07 CEST 2008
Remove the ZnOC.irrep* files (or recalculate them properly).
> All calculations are well with "runsp_lapw -p".while calcualte
> bandstructure, the error appears as follows:
>
> tail: cnanot open "+3" for reading : No such file or directory
>
> forrtl: severe (64):input conversion error, unit 30,file
> /home/ZnOC/ZnOC.irrepup.
>
>
>
> Any suggestions are wellcome.
>
> Thanks!
>
> C-W Zhang
--
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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