Simple-DFTD3

Description

Reimplementation of the D3 dispersion correction. The s-dftd3 project aims to provide a user-friendly and uniform interface to the D3 dispersion model and for the calculation of DFT-D3 dispersion corrections.

More information

  • Homepage: https://dftd3.readthedocs.io

Availability

Module

Generic

E5

Lake

Epyc

Cascade

Genoa

Simple-DFTD3/1.2.1-gfbf-2024a