[DFTB-Plus-User] Can you transform the gold parameter file from hOTBIT version to DFTB+ for me?
peter308 at gmail.com
Thu Apr 18 04:35:07 CEST 2013
Dear DFTB+ user:
I am running gold cluster using HOTBIT software developed by Pekka
Koskinen. Pekka already has parameter file for gold , however the software
is writen in python and its performance is a little bit slow. I wonder if
one could transform it to a parameter file which can be used in dftb+? Many
PS. HOTBIT is also based on DFTB theory and i believe that he use similar
way of fitting for the parameters. I put the parameter file in the
attachment for your convenience.
With Best Regards
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