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Forbid to run DFT+U calculation with the generalized Bloch theorem.

Nicolas Tancogne-Dejean requested to merge dftu_magnon_kick into develop

Description

In the present implementation of DFT+U, in case of spinors, we have off-diagonal terms in spin space which break the assumption of the generalized Bloch theorem. This MR thus forbid running this combination.

Closes #232 (closed)

News snippet

Forbid running a combination of options which are not compatible.

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 Martin Lueders

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