DFT-D3
DFT-D3 implements a dispersion correction for density functionals, Hartree-Fock and semi-empirical quantum chemical methods.
https://www.chemie.uni-bonn.de/grimme/de/software/dft-d3
Available modules
The overview below shows which DFT-D3 installations are available per target architecture in the HPCC module system, ordered based on software version (new to old).
To start using DFT-D3, load one of these modules using a module load command like:
module load DFT-D3/3.2.0-intel-compilers-2021.4.0
(This data was automatically generated on Thu, 22 Jan 2026 at 12:03:27 EST)
| gateway | generic | zen2 | zen3 | zen4 | skylake_avx512 | |
|---|---|---|---|---|---|---|
| Gateway nodes | everywhere (except Grace nodes) | amd20 | amd22 | amd24 | intel18,amd20-v100,amd21,intel21 | |
| DFT-D3/3.2.0-intel-compilers-2021.4.0 | - | x | - | - | - | - |
| DFT-D3/3.2.0-intel-2023a | - | x | - | - | - | - |