[Wien] read error when using irrep
Peter Blaha
pblaha at zeus.theochem.tuwien.ac.at
Tue Aug 26 11:25:01 CEST 2003
> Just a remark concerning irrep. There is a small error in the x script.
> The $scratch is missing for the vector file.
>
> You have to had it in this way.
> case irrep:
> set exe = irrep$para
> set dopara = 1
> cat << theend > $def
> 5, '$file.irrep$so$updn', 'unknown','formatted',0
> 6, '$file.outputir$so$updn', 'unknown','formatted',0
> 9, '${scratch}$file.vector$so$dnup', 'unknown', 'unformatted',9000
> 10,'${scratch}$file.vector$so$updn', 'old', 'unformatted',9000
Thank's! I'll update x_lapw.
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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