qcscine / sparrow

https://scine.ethz.ch
BSD 3-Clause "New" or "Revised" License
78 stars 15 forks source link

DFT-D4 dispersion correction #16

Open awvwgk opened 2 years ago

awvwgk commented 2 years ago

For the DFTB SK sets 3ob, mio, ob2, matsci and pbc damping parameters for the D4 dispersion model are available (see https://aip.scitation.org/doi/10.1063/1.5143190). Is there a way to support using D4 dispersion with Sparrow?