dftd3 / simple-dftd3

reimplementation of the DFT-D3 program
https://dftd3.readthedocs.io
GNU Lesser General Public License v3.0
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Add zero damping parameters from GMTKN55 #9

Closed awvwgk closed 2 years ago

awvwgk commented 2 years ago

In the GMTKN55 study zero damping parameters for several functionals were published which are currently not available automatically in this implementation. For details see https://doi.org/10.1039/C7CP04913G and the supporting information for the full list (https://www.rsc.org/suppdata/c7/cp/c7cp04913g/c7cp04913g1.pdf in table S4).