[DFTB-Plus-User] Spin polarization
Gabriele Penazzi
penazzi at uni-bremen.de
Sun Jan 24 14:50:07 CET 2016
On 01/24/2016 01:57 PM, u3129004 at edu.gifu-u.ac.jp wrote:
> Dear DFTB+ users,
>
> I intended to perform calculation taking into consideration spin
> polarisation within transport calculation. But after execution, the
> folloing message appeared:
>
> ERROR!
> -> GDFTB/LIBNEGF does not work spin polarized yet
>
> Therefore within transport calculation, this type calculation can not be
> performed?
That is right, it cannot
>
> Thank you very much in advance,
> Kazuma
> ---------------------------------------------------
> Kazuma KIHIRA
> Graduate School of Engineering, Gifu University
> E-mail:u3129004 at edu.gifu-u.ac.jp
> ---------------------------------------------------
>
>
> _______________________________________________
> 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
--
Dr. Gabriele Penazzi
BCCMS - University of Bremen
http://www.bccms.uni-bremen.de/
http://sites.google.com/site/gabrielepenazzi/
phone: +49 (0) 421 218 9328
fax: +49 (0) 421 218 4764
More information about the DFTB-Plus-User
mailing list