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CP2K: spin density for UKS runs (cube file, Mulliken/Hirshfeld spin per atom in the Viewer) #592

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@ohlincha

NBOMAT, via Andy 10-26: to see whether an added electron sits on the dopant or on Nb. Part of #412.
Write the spin density cube (&E_DENSITY_CUBE / spin density print) for unrestricted runs, read it as ECCE's spin density field; parse Mulliken and Hirshfeld spin populations per atom and show them in the charges panels/Viewer.

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  1. self-assigned this
    on Oct 26, 2026
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