# 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|
|------|------|------|------|------|------|------|
|<a href="castep.html">CASTEP/25.1.2-foss-2024a</a>|| ✓ | ✓ || ✓ ||