[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
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