Non-collinear magnetism in WIEN2k

Basis functionsspheres - combination of pure spinors in a local coordinate frame:the direction of the quantisation axis is along an averagemagnetisation inside the sphere,ϕ AP W⃗Gσ(⃗k)ϕ LO⃗Gσ α == ∑ σ α ∑LGσ(A ⃗ αL(A ⃗ Gσσ αu σαlLu σαl+ B ⃗ Gσσ αL+ B ⃗ Gσσ αL˙u σαl+ C ⃗ Gσ αL)˙u σαl Y L χ σ α,)u σα2,l Y L χ σ αY L is a spherical harmonic, L stands for (l, m),χ σ α is a spinor given in a local coordinate frame,u, ˙u are radial function and its energy derivative.wien workshop 2003 – p.18/40