[DFTB-Plus-User] atomic polarizabilities

Paulo Cesar Piquini ppiquini at gmail.com
Fri May 27 14:59:58 CEST 2011

Dear colleagues of DFTB+,

we are trying to optimize some organic systems containing fluorine atoms and
we want to use the dispersion constants.
Unfortunately we do not have access to the Kang and Jhon reference, where
the F values should (we believe) be found.
Could anyone help us giving the polarizabilities, cutoff and charge values
for fluorine?

Thanks in advance
Paulo Piquini

Paulo Cesar Piquini
Departamento de Física (Physics Department)
Universidade Federal de Santa Maria (Federal University of Santa Maria)
Santa Maria, RS
Phone: + 55 55 3220-8609
Fax: + 55 55 3220-8032
e-mail: ppiquini at gmail.com; ppiquini at smail.ufsm.br
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20110527/61a4d0f9/attachment.htm 

More information about the DFTB-Plus-User mailing list