[Wien] optic problem : case.mme file lost
Jiang Jun
czjiangjun at hpsv.pku.edu.cn
Sun Feb 19 17:54:49 CET 2006
I find that in the file opticpara_lapw there are lines read:
s/vector$so$dnup/&_$i/w .mist
s/vector$so$updn/&_$i/w .mist
s/outputop/&_$i/w .mist
s/symmat/&_$i/w .mist
s/mommat/&_$i/w .mist
s/mat_diag/&_$i/w .mist
while NOT the line
s/mme$updn/&_$i/w .mist.
how to change it correctly?
> > I am calculating the optic property. I followed the UG and got to
> >
> > x optic -so -up -p
> >
> > but the there were some messages:
>
> > cat: ./sinc.mme_1up: No such file or directory
>
> There is a small bug in opticpara_lapw for spinpolarized cases:
>
> Search for the line:
> s/mme$updn/&_$i/w .mist
>
> and replace it by:
> s/mme/&_$i/w .mist
>
> It will be fixed in the next update
>
> P.Blaha
> --------------------------------------------------------------------------
> 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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