elk-openmpi5
An all-electron full-potential linearised augmented-planewave code
An all-electron full-potential linearised augmented-plane wave (FP-LAPW) code with many features. 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. This flavour of elk is built with openmpi5 parallelisation support.
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