dftd3-lib

This is a repackaged version of the DFTD3 program by S. Grimme and his coworkers.The original program (V3.1 Rev 1) was downloaded at 2016-04-03. It has beenconverted to free format and encapsulated into modules.

https://github.com/dftbplus/dftd3-lib

Available modules

The overview below shows which dftd3-lib installations are available per target architecture in the HPCC module system, ordered based on software version (new to old).

To start using dftd3-lib, load one of these modules using a module load command like:

module load dftd3-lib/0.9-GCC-12.3.0

(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
dftd3-lib/0.9-GCC-12.3.0	-	x	-	-	-	-