WIEN2k¶
The program package WIEN2k allows to perform electronic structure calculations of solids using density functional theory (DFT). It is based on the full-potential (linearized) augmented plane-wave ((L)APW) + local orbitals (lo) method, one among the most accurate schemes for band structure calculations. WIEN2k is an all-electron scheme including relativistic effects and has many features.
homepage: http://www.wien2k.at/
| version | toolchain |
|---|---|
17.1 |
foss/2018a |
17.1 |
gimkl/2017a |
17.1 |
intel/2018a |
18.1 |
foss/2018a |
18.1 |
gimkl/2017a |
18.1 |
intel/2018a |
19.1 |
intel/2019a |
19.2 |
intel/2020b |
21.1 |
intel/2021a |
21.1 |
intel/2021b |
23.2 |
intel/2021b |
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