[Wien] monoclinic crystal structure calculations

[Peter Blaha]

Unfortunately, the monoclinic bug for C-centered lattices is still
present.
(see www.wien2k.at/reg_user/limitations)

> In the WIEN2k User's Guide page 39, there is a warning about the monoclinic
> crystal structure calculation. I am wondering if WIEN2k has fixed the bug and
> be able to do
> the monoclinic crystal structure calculations ?  If so, then where can I get
> the sample input and test it.
> 
> Also, if anyone know how to calculate the atomic energy using WIEN2k, I
> appreciate your inputs here very much.
> 
> Many Thanks !
> Da
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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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