Elk FP-LAPW

Last modified by alldritt@helsinki_fi on 2024/02/07 06:22

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.