[DFTB-Plus-User] STO coefficients for ob2-1-1 SK parameter set

[Ben Hourahine]

Hello Daeho,


The developers of that parameter set did not make these available.
However, for qualitative tests, they are similar to the mio STO (but do
not rely on this quantitatively).


More importantly, the ob2 parameters should be used with the LC-DFTB2
hamiltonian.


Regards


Ben


On 30/10/18 06:46, 한대호 (화학과/대학원생) wrote:
>
> Dear Developers,
>
>
> Recently I'm testing the parameter set "ob2-1-1" on DFTB+. I would
> like to check the form of orbitals, but there's no information of
> the STO coefficients on dftb.org.
>
>
> Can I get those coefficients?
>
>
> Thank you,
>
>
> Daeho Han
>
>
>
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