[DFTB-Plus-User] new parameters

Dr. Alessandro Venturini alessandro.venturini at isof.cnr.it
Wed Jul 7 12:52:36 CEST 2021


My name is Alessandro Venturini and i am a new DFTB+ user. It would be 
important, for my research, to have some new parameters regarding 
interaction between metals like Ti Fe or Ti Cu. Is it possible to derive 
them from already existing parameters? Is there someone working on it?
many thanks

-- 
Dr. Alessandro Venturini
Senior Researcher
Institute of Organic Synthesis and Photoreactivity (ISOF)
National Research Council of Italy
Address: Via P. Gobetti 101 - 40129 Bologna - Italy -
Tel: +39 051 6399812
web: www.isof.cnr.it, alevent.wordpress.com





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