SCFCalculateOrbitalMoments

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SCFCalculateOrbitalMoments

Section SCF
Type logical
Default no

This variable controls whether the local orbital angular moments are calculated at the end of a self-consistent iteration. The default is no. This is only applicable for spinors with SOC.

This is computed by integrating around atom-centered spheres, and does not include the interstitial contribution. The same sphere are used as for the spin magnetic moments.


Source information

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