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Kanamori

Nicolas Tancogne-Dejeanrequested to merge
kanamori_parameter_output into develop

Description

Add the possibility of outputing the Kanamori interaction parameters. These parameters are not determined self-consistently, but are taken from the occupation matrices and Coulomb integrals comming from a standard +U calculation.

News snippet

Output of the Kanamori interaction parameters.

Checklist

  • I have checked that my code follows the Octopus coding standards
  • I have added tests for all the new features added in this request.
Edited by Henri Menke

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