[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
>
>
>
> _______________________________________________
> 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 --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20150225/07314fc1/attachment.htm>
More information about the DFTB-Plus-User
mailing list