[DFTB-Plus-User] [DFTB-Announce] New SK set 3ob-3-1

gxaaas gxaaas at gmail.com
Tue Aug 11 14:49:11 CEST 2015


Dear All,

May I ask the atomic orbitals in 3ob-3-1 set are available now? 
It seems that there is no update in this link(http://www.dftb-plus.info/tools/waveplot/) up to now.

Best Regards,
Xing Gao


From: Bálint Aradi
Date: 2015-07-21 15:14
To: DFTB-Announce
Subject: [DFTB-Announce] New SK set 3ob-3-1
Dear SlaKo-parameter users,

we would like to notify you about the upload of the new, extended
organic/biological set to DFTB.ORG. The new 3ob-3-1 set contains now 15
elements: Br, C, Ca, Cl, F, H, I, K, Mg, N, Na, O, P, S, Zn.

It can be downloaded from

http://www.dftb.org/parameters/download/3ob/3ob-3-1/

We hope, you will find the new parameters useful.

  Best regards,

  Bálint

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





_______________________________________________
DFTB-Announce mailing list
DFTB-Announce at mailman.zfn.uni-bremen.de
https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-announce
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20150811/be577506/attachment.html>


More information about the DFTB-Plus-User mailing list