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.