[Wien] the inverse of the matrix of lattice translation

[Peter Blaha]

Look eg. into SRC_lapw1/latgen.f

and also on the call to gbass in this routine.



fatemeh.mirjani schrieb:
> Dear Prof.Blaha;
> 
> I need the inverse of the matrix of lattice translation for FCC lattices in WIEN2k.
> I guess that it should be :
> -1  1 -1
> -1  1  1
>  1  1 -1
> 
> Would you plesae tell me if there is a file in WIEN2k that detemines the matrix of lattice translation or the inverse of it?
> 
> Thanks in advance,
> Fatemeh

-- 

                                       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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