Elk Code Wiki
Welcome to the Wiki page of the Elk Code! Elk is an all-electron full-potential linearized augmented-plane wave (FP-LAPW) code for determining the properties of crystalline solids.
This Wiki is intended to be edited, improved upon and added to by anyone with a working knowledge of the code or the methods used. If you would like to make a contribution then please contact one of the Wiki administrators.
- Compiling Elk - Serial Version
- Compiling Elk - Parallel Version with OpenMP
- Compiling Elk - Parallel Version with OpenMP and MPI (elk v1.1.4)
- Running Elk for the first time - Band Structure of Al
- Determining the lattice constant of Al using the Equation of State
- Cohesive Energy of NaCl
- Changing the valence configuration of Fe
Notes by Anton Kozhevnikov
Notes by Christian Brouder