[DFTB-Announce] Biological/organic parameter set 3ob available

[Bálint Aradi]

Dear SlaKo users,

the new biological/organic parameter set 3ob, developed by the group of
M. Elstner in Karlsruhe is available on DFTB.ORG. The set covers C-H-N-O
interactions and superseeds the mio set. The repulsives had been fitted
using the so called DFTB3 Hamiltonian (third order DFTB + damped gamma
interaction).

  Best regards,

  Bálint Aradi

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/


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