[DFTB-Plus-User] what is the largest system treated with DFTB so far
ekadants at babylon.phy.nrc.ca
ekadants at babylon.phy.nrc.ca
Mon Jul 21 16:29:38 CEST 2008
Dear DFTB users,
I am trying to determine whether DFTB+ is right for our
research purposes...
In your professional experience, what was the largest system which was
treated with DFTB+ code ?
non-selfconsistently (number of electrons/number of ions)
self-consistently (number of electrons/number of ions)
I would also greatly appreciate if you can provide a
reference to the "largest" DFTB+ calculation.
Best regards,
Eugene Kadantsev
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