[Wien] Split of case.weight file

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Tue Mar 30 17:32:06 CEST 2004


>          I'd like to know whether there's any tools(programs) to split case.weight file in the way
> like the spliting of case.klist file according to the .machines file.

The case.weigh files are splitted in the same way. However, they are binary
files. The ascii case.weight is not split.

It would be a trivial code change (see SRC_lapw2/lapw2.frc, where both
weight files are written: unit 26=weigh, unit 11=weight)

                                      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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