CASTEP
Description
CASTEP is an electronic structure materials modelling code based on density functional theory (DFT), with functionality including geometry optimization molecular dynamics, phonons, NMR chemical shifts and much more.
More information
Homepage: http://www.castep.org
Availability
Module |
Generic |
E5 |
Lake |
Epyc |
Cascade |
Genoa |
|---|---|---|---|---|---|---|
✓ |
✓ |
✓ |