[DFTB-Plus-User] Spin polarization

u3129004 at edu.gifu-u.ac.jp u3129004 at edu.gifu-u.ac.jp
Mon Jan 25 07:30:09 CET 2016


Dear Dr. Gabriele,

Thank you very much for your teaching.

Sincerely yours,
Kazuma

----- Original Message -----
> 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
> 
> _______________________________________________
> 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

> 




More information about the DFTB-Plus-User mailing list