[DFTB-Plus-User] Ag-Ag potential
Vinay Hegde
vinayhegde at jncasr.ac.in
Wed Aug 8 10:06:36 CEST 2012
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
More information about the DFTB-Plus-User
mailing list