[Wien] Formula full-potential

[tran at theochem.tuwien.ac.at]

Hi,

I was wrong, since there is no detail on the construction of the potential
in Dufek's thesis. To my knowledge, there is unfortunately no document
where the construction of the potential is explained in great details
specifically for WIEN2k. This is not trivial and made more complicated by
the use of cubic harmonics for cubic symmetry. Also, in the interstitial
there is the concept of stars which is used for the Fourier coefficients.

A few more links to documents which may be helpful depending on what you
want to know in particular:

http://scitation.aip.org/content/aip/journal/jmp/22/11/10.1063/1.524800
http://journals.aps.org/prb/abstract/10.1103/PhysRevB.26.4571

Actually, for which reason do you need details of the potential?

F. Tran

On Mon, 14 Dec 2015, Tuan Vu wrote:

> 
> Dear Prof. F. Tran
> 
> 
> The links on the site, we did not find detailed information on the construction and use of the full-potential in the
> code WIEN2k. As you can see the thesis P. Dufek, you mentioned?
> 
> We will be very grateful, if you send us this thesis, even in hard copy at:
> 
> Russian Federation, Rostov-on-Dou, pl. Gagarin 1, Don State University, the department of "Electrical and
> Electronics".
> 
>  
> 
> Kind Regards
> 
> Doctor of physical and mathematical sciences, Prof. Lavrentyev A.A. and PhD Student Tuan Vu
> 
> 
>