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exciting

A full-potential all-electron LAPW package with a particular focus on electronic excitations and theoretical spectroscopy of materials.

Where it fits

Materials spectroscopy and excitation studies where all-electron treatment matters.

Limits and practical considerations

Converge unoccupied states and response parameters independently; alpha-release features require additional validation.

Licensing and access

Obtain the code from the official project and check the selected release licence and bundled-library terms.

Official documentation and project

Official documentation and sources

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