[Wien] Formula full-potential

[tran at theochem.tuwien.ac.at]

A few details here:

http://www.springer.com/us/book/9780387287805
http://citeseerx.ist.psu.edu/viewdoc/download?doi=10.1.1.155.1413&rep=rep1&type=pdf
http://iopscience.iop.org/article/10.1088/0953-8984/26/36/363202/pdf

The document which contains the largest amount details is probably the
thesis from P. Dufek that we have only as a hard copy (no PDF).

F. Tran

On Wed, 9 Dec 2015, Tuan Vu wrote:

> 
> Dear All
> 
>  
> 
> I just read paper “Computation of Materials Properties at the Atomic Scale // Karlheinz Schwarz 2015” (4.2. The choice of the potential) and User's Guide (2.2.3
> General considerations, formula 2.10), In its general form the LAPW (APW+lo) method expands the potential in the following form V(r) - inside sphere and outside
> sphere.
> 
> Can you tell me where can I find more detailed formula for building potential used in the code WIEN2k? As an example, this is done in optics article “Linear optical
> properties of solids within the full-potential linearized augmented planewave method // Claudia Ambrosch-Draxl , Jorge O. Sofo // Computer Physics Communications 175
> (2006) 1–14.”
> 
> 
> Kind Regards
> 
> Tuan Vu
> 
> PhD Student
> 
> Rostov-On-Don, Russia.
> 
> 
>