[Wien] reference
Peter Blaha
pblaha at theochem.tuwien.ac.at
Wed Oct 7 08:30:35 CEST 2009
I don't know the other references, but as far as I know there's only one
definition, and that the one in Singh's book.
Mohammad R. Rasoulian schrieb:
> Dear Blaha
> in our implementation between Wien2k and wannier90 we have a question .
>
> there are several ways for calculate the Alm(k) and Blm(k) those are the
> coefficient of the Apw wave function .
>
> one way is the method of the singh book page 45 and another is the
> method of the computational method in solid state physics of
> Nemoshkalenko page 202 and other way is in the steffen paper page 28
> that there is in wien2k site .those ways are different!.
>
> which ways do you use in your code?
>
> thank you.
>
> --
> --
> ======================================
> Mohammad Reza Rasoulian
> Computational Condensed Matter Research Lab
> Physics Department, Isfahan University of Technology, Iran
>
> Tel lab: +98 311 391 3731 Fax Office: +98311 391 3746
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P.Blaha
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