[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
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Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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