Dear Wien2K users,
Now my task consists in obtaining spin expectation values for each
valence electron state. In other words, <\psi S \psi> values.
Earlier I performed such task in other program package, that was
capable of outputting sets of Sx, Sy and Sz values for all valence
electrons
in each k-point of a band structure. Does Wien2K has similar
functionality?
Sincerely yours,
Artem Tarasov
Department of Solid State Electronics
SPSU.
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