eigen_chebyshev_oct_m::eigen_chebyshev_t Type Reference

Detailed Description

Definition at line 133 of file eigen_chebyshev.F90.

Private Member Functions
final	finalize

Private Attributes
integer	n_lanczos
	Number of Lanczos iterations used to determine the estimate upper bound of H. More...
integer	degree
	Degree of Chebyshev polynomial. More...
real(real64)	bound_mixing
	Coefficient for linear mixing of min and max eigenvalues,. More...
integer	n_iter
	Number of iterations used for the first SCF step. More...
logical	optimize_degree
	Use polynomial degree optimization. More...
real(real64), dimension(:,:,:), allocatable	dlanczos_state
	Store the trial vector for Lanczos. More...
complex(real64), dimension(:,:,:), allocatable	zlanczos_state

Member Function/Subroutine Documentation

finalize()

final eigen_chebyshev_oct_m::eigen_chebyshev_t::finalize

finalprivate

Definition at line 148 of file eigen_chebyshev.F90.

Member Data Documentation

n_lanczos

integer eigen_chebyshev_oct_m::eigen_chebyshev_t::n_lanczos

private

Number of Lanczos iterations used to determine the estimate upper bound of H.

Definition at line 134 of file eigen_chebyshev.F90.

degree

integer eigen_chebyshev_oct_m::eigen_chebyshev_t::degree

private

Degree of Chebyshev polynomial.

Definition at line 135 of file eigen_chebyshev.F90.

bound_mixing

real(real64) eigen_chebyshev_oct_m::eigen_chebyshev_t::bound_mixing

private

Coefficient for linear mixing of min and max eigenvalues,.

Definition at line 136 of file eigen_chebyshev.F90.

n_iter

integer eigen_chebyshev_oct_m::eigen_chebyshev_t::n_iter

private

Number of iterations used for the first SCF step.

Definition at line 141 of file eigen_chebyshev.F90.

optimize_degree

logical eigen_chebyshev_oct_m::eigen_chebyshev_t::optimize_degree

private

Use polynomial degree optimization.

Definition at line 142 of file eigen_chebyshev.F90.

dlanczos_state

real(real64), dimension(:,:,:), allocatable eigen_chebyshev_oct_m::eigen_chebyshev_t::dlanczos_state

private

Store the trial vector for Lanczos.

Definition at line 144 of file eigen_chebyshev.F90.

zlanczos_state

complex(real64), dimension(:,:,:), allocatable eigen_chebyshev_oct_m::eigen_chebyshev_t::zlanczos_state

private

Definition at line 146 of file eigen_chebyshev.F90.

---

The documentation for this type was generated from the following file:

• electrons/eigen_chebyshev.F90