Siesta¶
SIESTA is both a method and its computer program implementation, to perform efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids.
homepage: https://departments.icmab.es/leem/siesta
| version | versionsuffix | toolchain |
|---|---|---|
4.0 |
foss/2017b |
|
4.0 |
intel/2017a |
|
4.0.1 |
intel/2017a |
|
4.1-MaX-1.0 |
-PEXSI |
intel/2019b |
4.1-MaX-1.0 |
intel/2019b |
|
4.1-b2 |
intel/2017a |
|
4.1-b3 |
intel/2017a |
|
4.1-b4 |
foss/2018b |
|
4.1-b4 |
intel/2018b |
|
4.1.5 |
foss/2020a |
|
4.1.5 |
foss/2021a |
|
4.1.5 |
foss/2021b |
|
4.1.5 |
foss/2022a |
|
4.1.5 |
intel/2020a |
|
4.1.5 |
intel/2022a |
(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)