ChebyshevFilterBoundMixing

ChebyshevFilterBoundMixing

Section SCF::Eigensolver
Type float
Default 0.5

In the first application of the filter, for the first SCF step, the initial lower bound estimate is defined as a linear combination of the smallest and largest eigenvalues of the Hamiltonian. The bound mixing determines the proportion of linear mixing, beta: $b_{lower} = beta min{\lambda} + (\beta - 1) max{\lambda}$ of the smallest and largest eigenvalues.

 call parse_variable(namespace, 'ChebyshevFilterBoundMixing', default_chebyshev_params%bound_mixing, eigens%cheby_params%bound_mixing)