[DFTB-Plus-User] Ag-Ag potential

[Zhu Xi]

Dear Vinay

it is for organic/inorganic hybrid, not for the bulk inorganic silver



2012/8/8 Vinay Hegde <vinayhegde at jncasr.ac.in>

> Dear Xi,
>
> 'Ag-O-C-H' indicates that ALL parameter files required to run a system
> with Ag, O, C, H are available. This includes Ag-Ag.skf, Ag-O.skf,
> Ag-C.skf, Ag-H.skf, O-Ag.skf, O-O.skf, O-C.skf, and so on. All these
> S-K files are available in the hyb-0-* parameter sets.
>
> HTH,
> Vinay
>
> --
>
> Vinay Ishwar Hegde
> Graduate Student
> Theoretical Sciences Unit (TSU)
> Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR)
> Jakkur, Bangalore 560 064
> Email: vinayhegde at jncasr.ac.in
> Phone: +91-96639-92336
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