WIEN2k

This software is under support tier 1!

Software description

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.

License

Note: WIEN2k is a licensed software. Please contact NSC support to confirm your WIEN2k license with us. www.nsc.liu.se/software/software-licensing/wien2k/

Homepage: wien2k.at/

NSC documentation

Please make sure to read our documentation: WIEN2k

24.1-hpc1-intel-2023a-eb

This is the currently recommended module!

Load with:

[user@system ~]$ module load WIEN2K/24.1-hpc1-intel-2023a-eb

23.2-hpc2-intel-2023a-eb-libxc

Load with:

[user@system ~]$ module load WIEN2K/23.2-hpc2-intel-2023a-eb-libxc

23.2-hpc1-intel-2023.1.0-oneapi

Load with:

[user@system ~]$ module load WIEN2K/23.2-hpc1-intel-2023.1.0-oneapi

21.1-hpc1-intel-2023a-eb-libxc

Load with:

[user@system ~]$ module load WIEN2K/21.1-hpc1-intel-2023a-eb-libxc

19.1-hpc1-intel-2023a-eb

Load with:

[user@system ~]$ module load WIEN2K/19.1-hpc1-intel-2023a-eb