LowdinExtrapolate Subroutine

public subroutine LowdinExtrapolate(PreviousDensity, OldOverlap, NewOverlap, NewDensity, solver_parameters_in)

Create a new guess at the Density Matrix after updating the geometry. Based on the lowdin algorithm in \cite exner2002comparison .

Arguments

Type	Intent	Optional	Attributes		Name
type(Matrix_ps),	intent(in)			::	PreviousDensity	THe previous density to extrapolate from.
type(Matrix_ps),	intent(in)			::	OldOverlap	The old overlap matrix from the previous geometry.
type(Matrix_ps),	intent(in)			::	NewOverlap	The new overlap matrix from the current geometry.
type(Matrix_ps),	intent(inout)			::	NewDensity	The extrapolated density.
type(SolverParameters_t),	intent(in),	optional		::	solver_parameters_in	Parameters for the solver

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