[DFTB-Plus-User] Spin constants of Mg and Zn atoms

[RIYANTO WIDODO]

Dear DFTB+ experts,

I am a new user of DFTB+. For my final project, I want to apply DFTB method
for the oxidation reactions of some organic compounds that are catalyzed by
the Mg(II) and Zn(II) ions. For this purpose, I plan to use the 3-ob
parameter sets.

For some systems, I want to do spin polarized calculations
which require the spin constants of Mg and Zn atoms. I have tried to search
the values of their spin constants but so far I cannot find them anywhere.
I wonder whether somebody has the spin constants of Mg and Zn and would not
mind to share it.

Your help is highly appreciated.

Thank you,

Riyanto Widodo

Undergraduate Student
Institut Teknologi Sumatera
Indonesia
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