ChebyshevFilterDegree

ChebyshevFilterDegree

Section SCF::Eigensolver
Type integer
Default 10

Used by the Chebyshev filter only. The degree of the Chebyshev polynomial used to dampen the interval of eigenstates one is not interested in. The larger the polynomial, the fewer SCF steps should be required to reach convergence, however this directly defines the number of matrix-vector products performed on the Hamiltonian per SCF step. A value in the range 8 <= ChebyshevFilterDegree <= 20 is reasonable.

 call parse_variable(namespace, 'ChebyshevFilterDegree', default_chebyshev_params%degree, eigens%cheby_params%degree)