From balint.aradi at bccms.uni-bremen.de Thu Apr 2 15:07:54 2009 From: balint.aradi at bccms.uni-bremen.de (=?UTF-8?B?QsOhbGludCBBcmFkaQ==?=) Date: Thu, 02 Apr 2009 15:07:54 +0200 Subject: [DFTB-Announce] Mailing list launched Message-ID: <49D4B8AA.5030509@bccms.uni-bremen.de> The mailing list DFTB-Announce had been launched. -- Dr. Bálint Aradi Bremen Center for Computational Materials Science, University of Bremen http://www.bccms.uni-bremen.de/en/~b_aradi -------------- next part -------------- A non-text attachment was scrubbed... Name: signature.asc Type: application/pgp-signature Size: 252 bytes Desc: OpenPGP digital signature URL: From balint.aradi at bccms.uni-bremen.de Thu Apr 2 14:53:12 2009 From: balint.aradi at bccms.uni-bremen.de (=?UTF-8?B?QsOhbGludCBBcmFkaQ==?=) Date: Thu, 02 Apr 2009 14:53:12 +0200 Subject: [DFTB-Announce] test2 Message-ID: <49D4B538.2040001@bccms.uni-bremen.de> test2 -- Dr. Bálint Aradi Bremen Center for Computational Materials Science, University of Bremen http://www.bccms.uni-bremen.de/en/~b_aradi -------------- next part -------------- A non-text attachment was scrubbed... Name: signature.asc Type: application/pgp-signature Size: 252 bytes Desc: OpenPGP digital signature URL: From balint.aradi at bccms.uni-bremen.de Thu Apr 2 15:55:14 2009 From: balint.aradi at bccms.uni-bremen.de (=?UTF-8?B?QsOhbGludCBBcmFkaQ==?=) Date: Thu, 02 Apr 2009 15:55:14 +0200 Subject: [DFTB-Announce] New set for Zn and ZnO with organics Message-ID: <49D4C3C2.4090103@bccms.uni-bremen.de> Dear DFTB.ORG users, we are proud to announce, that the new parameter set znorg had been published on the DFTB.ORG website. The new set was developed in Bremen (BCCMS) and extends the current mio set with Zn. The set was created to enable a good description of the following systems with DFTB: bulk Zn, bulk ZnO, ZnO surfaces and nanowires, interaction between the various ZnO structures and organic molecules, and Zn in biological systems. For more details, please visit http://www.dftb.org Registered users can download the set after logging in. Best regards Bálint Aradi -- Dr. Bálint Aradi Bremen Center for Computational Materials Science, University of Bremen http://www.bccms.uni-bremen.de/en/~b_aradi -------------- next part -------------- A non-text attachment was scrubbed... Name: signature.asc Type: application/pgp-signature Size: 252 bytes Desc: OpenPGP digital signature URL: