Elk

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Elk is an all-electron full-potential linearised augmented-plane wave (FP-LAPW) code with many advanced features.

Availability

ResourceCentreDescription
KappaNSCthroughput cluster resource of 26 TFLOPS
MatterNSCcluster resource of 37 TFLOPS dedicated to materials science
TriolithNSCCapability cluster with 338 TFLOPS peak and 1:2 Infiniband fat-tree


License

License: Free.


Experts

These experts have registered specific competence on this subject:

  FieldAE FTEGeneral activities
Diana Iusan (UPPMAX)UPPMAXComputational materials science
Performance tuning
50Compilation, performance optimization, and best practice usage of electronic structure codes.
Weine Olovsson (NSC)NSCComputational materials science90Application support, installation and help

Links

  • Main web page. The official website, here all information about Elk can be found.
  • Documentation. In this link one can find documentation on Elk.
  • Discussion forums. In the discussion forums you can ask questions about the code.