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.
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