kubo_projected.F File Reference

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Modules
module	kubo_projected
	Finite projected-Hamiltonian current in a nonorthogonal, possibly spinor AO basis.

Functions/Subroutines
subroutine, public	kubo_projected::projected_current (h, s, positions, energies, current, status)
	Compute C^dagger (H S^-1 X - X S^-1 H) C without forming S^-1.
subroutine, public	kubo_projected::projected_eigensystem (h, s, energies, c, status)
	Complete generalized eigensystem with a positive, well-conditioned AO metric.