Elk FP-LAPW
About Elk FP-LAPW
Elk FP-LAPW is 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.
Includes BSE at q=0 limit for (non-core states)
Includes static core hole type methods: see task 140 (elnes) in manual
Does not include yet GW
Website: http://elk.sourceforge.net/
Latest version: 2.3.22
Documentation
All documentation can be found in the Documentation section of the Elk website. Help files, installation notes, user guides, and additional information is available there. Additional notes will be found here.
Compiling and Installing Elk FP-LAPW
Platforms
- CSC (Vuori): OK, parallel version (Kari for more info)
- Korundi: not out of the box
- Alcyone: OK
- Local workstations: OK
Source Code Access
Full source code is available on the Elk FP-LAPW website in the Downloads section.