From balint.aradi at bccms.uni-bremen.de Tue Jan 15 08:25:19 2013 From: balint.aradi at bccms.uni-bremen.de (=?UTF-8?B?QsOhbGludCBBcmFkaQ==?=) Date: Tue, 15 Jan 2013 08:25:19 +0100 Subject: [DFTB-Announce] Biological/organic parameter set 3ob available Message-ID: <50F5045F.9090607@bccms.uni-bremen.de> 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/ -------------- next part -------------- A non-text attachment was scrubbed... Name: signature.asc Type: application/pgp-signature Size: 261 bytes Desc: OpenPGP digital signature URL: