[DFTB-Plus-User] atomic constants
toufik esssakhri
tousak at hotmail.fr
Tue Feb 23 13:28:47 CET 2021
Dear all,
Sorry for posting again
I wonder if someone computed the spin constant coupling (Wss, Wsp, Wsd, Wps, Wpp, Wpd, Wds, Wdp, Wdd) of Ti atom.
Best regards,
Toufik
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