[DFTB-Plus-User] Mn and Cr spin constants

[Sebastian Ehlert]

Hi Toufik,

we are working on a complete set of spin constants up to Radon (Z=86)
for the xTB Hamiltonian at the moment. However, we don't have final
values we can share here yet.

Stay tuned, once they are final we will make them available together
with the xTB Hamiltonian in DFTB+.

All the best
Sebastian


On Mon, 2022-04-11 at 09:31 +0000, toufik esssakhri wrote:
> Dear all,
> 
> could you, please, share the atomic spin constants of Mn and Cr
> atoms.
> Thank you in advance
> 
> Toufik
> _______________________________________________
> DFTB-Plus-User mailing list
> DFTB-Plus-User at mailman.zfn.uni-bremen.de
> https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user

-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 228 bytes
Desc: This is a digitally signed message part
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20220411/ef919dc6/attachment.sig>