[Wien] triclinic optimization

[Peter Blaha]

You cannot optimize all 6 lattice parameters (a,b,c,,alpha,beta,gamma)
with wien2k (in a reasonable time).

Am 13.04.2014 09:25, schrieb Lawal Mohammed:
> Dear Developers and Users,
>
> I am trying to optimize lattice parameters for a triclinic crystal system, but there is no option for triclinic in the optimizer.
> Any hint in this regard is appreciated.
>
> Kind regards
> Lawal Mohammed
>
>
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-- 
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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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