[Wien] Spin expectation values

Artem Tarasov artem.tarasov at spbu.ru
Mon Nov 25 00:29:16 CET 2019


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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