elk-lapw1

Usage

Overview

elk-lapw is an all-electron full-potential linearised augmented-plane wave (FP-LAPW) code for determining the properties of crystalline solids with many advanced features.

Options

The program has no options to use.

Files

All input files for the code are in lower case and end with the extension .in. All output files are uppercase and have the extension .OUT. The input file elk.in contains all parameters arranged in blocks. For more information on the file format refer to the official documentation.

Environment

elk-lapw was compiled with OpenMP and MPI enabled. Thus you can use all environmental variables these libraries provide.