[Wien] Fwd:

[huimei liu]

Dear Wien2k designers and users:
It seems I want more than  the spin-up and dn contribution for a state. I
'd like to draw the spin texture.

I want to calculate the spin direction for a state (k-point + band-index)
 using the formalism <ψ|σ|ψ> to evaluate the x,y and z component of spin.
Since I can get the Alm and Blm of the Wave function :ψ can be written as
the sum of [Alm*ul(r)+Blm*ul'(r)]Ylm. Here is the question, if I use Alm
only to calculate  <ψ|σ|ψ>, can I get the  close answer?  Or can anyone
tell me the margin of error of using Alm only compared with using Alm and
Blm toghther.
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