[Wien] error "trsym: cannot find class" in calculating the Band
structure
Peter Blaha
pblaha at theochem.tuwien.ac.at
Wed Feb 22 10:01:25 CET 2006
Do you have a non-symmorphic spacegroup ?
It is stated in the restrictions, that irrep works only for symmorphic
group.
> Dear Prof. Blaha and Dear wien2k user,
> Thank you very much for your attention. When I am calculating the Band structure after calculating the X irrep( Calculate irreducible representations) ,it gives the following error "trsym: cannot find class". Could you please let me know how can I get red of this error?
> Best regards,
> H.A.Rahnamaye aliabad
>
>
>
> ---------------------------------
>
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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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