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Deal with non-orthogonal basis

MeanFi currently only deals with an orthogonal basis. Implementing a solver that handles non-orthogonal basis would require including overlap matrices in the algorithm in the following steps:

  • constructing the tight-binding model,
  • calculating the Hartree-Fock-BdG corrections,
  • using a generalized eigensolver,
  • and computing density matrix.

It is doable since quantum chemistry has done it for decades.