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Fix several bugs with the Wannier90 utility for the w90_wannier mode.

Nicolas Tancogne-Dejean requested to merge fix_wannier90_wannier into develop

Description

  • The OutputFormat variable was not properly parsed for the output of the Wannier function
  • The center of the Wannier orbitals was read in angstrom (from Wannier90) and not converted to Bohr
  • There was a missing modulo missing for the phase construction of the Wannier function

The code now also prints some more details and outputs the Wannier state as complex wavefunctions.

News snippet

Several bugfixes with the Wannier90 utility for the w90_wannier mode.

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.

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