Elk

This software is under support tier 2!

Software description

An all-electron full-potential linearised augmented-plane wave (FP-LAPW) code with many advanced features. Written originally at Karl-Franzens-Universität Graz as a milestone of the EXCITING EU Research and Training Network, the code is designed to be as simple as possible so that new developments in the field of density functional theory (DFT) can be added quickly and reliably.

Homepage: elk.sourceforge.io/

NSC documentation

Please make sure to read our documentation: Elk

10.0.15-hpc1-intel-2023a-eb

Load with:

[user@system ~]$ module load Elk/10.0.15-hpc1-intel-2023a-eb

9.6.8-hpc1-intel-2023a-eb

Load with:

[user@system ~]$ module load Elk/9.6.8-hpc1-intel-2023a-eb

8.6.7-nsc1-intel-2021.3.0-oneapi

Load with:

[user@system ~]$ module load Elk/8.6.7-nsc1-intel-2021.3.0-oneapi

6.3.2-nsc1-intel-2018b-eb

This is the currently recommended module!

Load with:

[user@system ~]$ module load Elk/6.3.2-nsc1-intel-2018b-eb

5.2.14-nsc1-intel-2018a-eb

Load with:

[user@system ~]$ module load Elk/5.2.14-nsc1-intel-2018a-eb