[Wien] About FS plotting

Peter Blaha pblaha at theochem.tuwien.ac.at
Mon Feb 7 22:15:37 CET 2011


Are these all messages ? Which WIEN2k-version ?

In any case, I suspect you ran   x irrep   previously and have an incompatible
case.irrep file. Remove this file.

Am 07.02.2011 20:22, schrieb Artamonov Oleg:
>
> Dear Wien2k users,
> I would like to calculate the FS in the specified plane of BZ. I produce the k-list and copy it in case.in1. The x lapw1 produces correctly. After the command x spaghetti I recieve comments:number of k-points read in case.vector = 81no of egval = 2.What does it mean and how can I continue my calculation?
> Thanks in advance,                       Oleg Artamonov. _______________________________________________Wien mailing listWien at zeus.theochem.tuwien.ac.athttp://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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