[DFTB-Plus-User] Ag spin constants ?

Argo argo.nurbawono at gmail.com
Wed Feb 25 02:45:07 CET 2015


Hi Luiz,

they are only available in

http://www.dftb.org/parameters/download/mio/mio-1-1/

http://www.dftb.org/parameters/download/pbc/pbc-0-3/

http://www.dftb.org/parameters/download/hyb/hyb-0-2/

you can find txt files containing the spin constants at the download
section.

For znorg-0-1, I received a private email from Balint himself,

-0.01680293 -0.01206096 -0.00276457
-0.01206096 -0.02807964 -0.00070132
-0.00276457 -0.00070132 -0.01925085

Other spin constants should be from the DFTB manual. That's all I know.

Argo.

On Tue, 2015-02-24 at 17:18 +0100, Luiz Oliveira wrote:
> Dear users.
> 
> 
> 
> I have seen
> here: https://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/2014/001447.html
> that this question has already been asked, and I am sorry to ask it
> again, but I could not have access to those values.
> Could someone please send me them?
> 
> 
> Thanks.
> 
> 
> Luiz F. L. Oliveira
> 
> 
> 
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> DFTB-Plus-User at mailman.zfn.uni-bremen.de
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