[DFTB-Plus-User] Spin constants for fluorine and cobalt

paupitz at rc.unesp.br paupitz at rc.unesp.br
Sat Nov 16 19:44:22 CET 2013

Dear dftb+ users,

I am facing some difficulties with spin polarised calculations. I need to
make some MD simulations for F atoms reacting with graphene membranes and
others with Cobalt atoms on graphene as well. These simulations should be
done considering spin polarisation, but
I am not able to find spin parameters and spin constants for fluorine and
cobalt atoms. Could someone indicate to me where I can find these ?

Thank you very much.
Best regards,


Prof. Dr. Ricardo Paupitz B. dos Santos
IGCE - Unesp - Universidade Estadual Paulista
Departamento de Física
Av. 24-A n. 1515 Bela Vista
Rio Claro - SP
CEP 13506-900
Rio Claro (SP), Brasil
Phone: +55-19-3526 9156

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