[Pw_forum] Orbital order in the non-collinear relativistic case... again!

[Rodrigo Neumann]

Dear Andrea,

> Here linear combinations means tight binding linear combinations, not
> combinations of different eigenstates of j^2 and j_z to obtain
> eigenstates of other operators.

Thanks for your answer!

> This is wrong. Nowhere in the manual there are formulas like these. It
> is true that in QE we are using real spherical harmonics, but they are
> combined with the correct complex coefficients to obtain complex
> spherical harmonics that are combined to obtain eigenstates of j^2 and
> j_z. See the transformation matrix (Eq. A2 in Phys. Rev. B 71, 115106
> (2005)).

Please forgive me for my sloppy notation, I meant no disrespect for the
code nor for the underlying theory. My pseudo-formulae  "(j,+|m_j|) +/-
(j,-|m_j|)" should not be taken seriously, they represent (in a pictorial
way) the linear combinations in Eq. A1.

Then again, thanks for your message!

All the best,
Rodrigo

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Rodrigo Neumann Barros Ferreira
PhD Student
Departamento de Física dos Sólidos - Instituto de Física
Universidade Federal do Rio de Janeiro
Cx.Postal 68.528
21945-972, Rio de Janeiro - RJ - BRASIL

Tel: [+55] (21) 2562-7341
http://www.if.ufrj.br/~neumann/
http://tmc.if.ufrj.br/
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