Expectation values of the spin operator

Total energy, geometry optimization, DFT+U, spin....

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herman
Posts: 6
Joined: Sun Jan 09, 2011 10:55 pm

Expectation values of the spin operator

Post by herman » Sun Apr 21, 2013 4:25 pm

Hello everyone!

Is it possible with Abinit (for a non-collinear calculation) to calculate / print the expectation values of the spin operator on the wavefunctions?
Any experience with that?

Best regards,
Michal H.

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