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.


_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Reply via email to