CASTEP¶
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.
homepage: http://www.castep.org
| version | toolchain |
|---|---|
21.1.1 |
CrayCCE/19.06 |
21.1.1 |
CrayGNU/19.06 |
21.1.1 |
foss/2019b |
21.1.1 |
intel/2019b |
21.1.1 |
iomkl/2019b |
22.11 |
foss/2022a |
23.1 |
foss/2023a |
(quick links: (all) - 0 - a - b - c - d - e - f - g - h - i - j - k - l - m - n - o - p - q - r - s - t - u - v - w - x - y - z)