[Wien] About FS plotting

Artamonov Oleg artaoleg at yandex.ru
Thu Feb 10 12:56:26 CET 2011


Dear Peter Blaha,

Thank You for suggestion, Oleg Artamonov.


08.02.2011, 00:15, "Peter Blaha" <pblaha at theochem.tuwien.ac.at>:
> 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
> --
> -----------------------------------------
> 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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