[Wien] Projected DOS calculation using QTL

Peter Blaha pblaha at theochem.tuwien.ac.at
Fri Jun 17 14:03:14 CEST 2005


Now I got it. It is of course a "bug" in the x script and it will
produce a qtlup1 and qtldn1 file with the next release.

> thanks a lot for your help. I think I got it now. What puzzled me most was not
> to have a case.qtl1up and case.qtl1dn file as an output from x qtl -up/dn. If I
> understood right, we actually need the case.qtl1 file from x qtl -up and another
> case.qtl1 file from x qtl -dn. Then, it should be easier if the program qtl
> would print its output to case.qtl1up and case.qtl1dn, isn't it?. Maybe I'm
> wrong and I still don't understand how it all goes (there must be a reason for
> this being as it is, but I just don't get it).
> 


                                      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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