eigen_chebyshev.F90 File Reference

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Modules
module	eigen_chebyshev_oct_m

Data Types
type	eigen_chebyshev_oct_m::eigen_chebyshev_t
type	eigen_chebyshev_oct_m::batch_pointer_t

Functions/Subroutines
subroutine, public	eigen_chebyshev_oct_m::dchebyshev_filter_solver (namespace, sdiag, mesh, st, hm, ik, subspace_tol, filter_params, scf_iter, prior_residuals)
	Driver for Chebyshev filter-based solver. More...
subroutine	eigen_chebyshev_oct_m::dfirstscf_iterative_chebyshev_filter (namespace, sdiag, mesh, st, hm, ik, tolerance, filter_params)
	Iterative application of Chebyshev filter, for use with the first SCF step. More...
subroutine	eigen_chebyshev_oct_m::dchebyshev_filter (namespace, mesh, st, hm, degree, bounds, ik)
	Chebyshev Filter. More...
subroutine, public	eigen_chebyshev_oct_m::zchebyshev_filter_solver (namespace, sdiag, mesh, st, hm, ik, subspace_tol, filter_params, scf_iter, prior_residuals)
	Driver for Chebyshev filter-based solver. More...
subroutine	eigen_chebyshev_oct_m::zfirstscf_iterative_chebyshev_filter (namespace, sdiag, mesh, st, hm, ik, tolerance, filter_params)
	Iterative application of Chebyshev filter, for use with the first SCF step. More...
subroutine	eigen_chebyshev_oct_m::zchebyshev_filter (namespace, mesh, st, hm, degree, bounds, ik)
	Chebyshev Filter. More...

Variables
type(eigen_chebyshev_t), public, protected	eigen_chebyshev_oct_m::default_chebyshev_params = eigen_chebyshev_t(5, 25, M_HALF, 5, .true.)
	Default Chebyshev input parameters Arguments 1 and 2 taken from 10.1016/j.jcp.2006.03.017 Argument 3. If this were a fixed value for the whole calculation, 10 would be reasonable (see 10.1016/j.jcp.2014.06.056) however as the default is to use this as a max value, which is optimised by Octopus, any large value is reasonable. Argument 4 set empirically. A value > 2 results in a more accurate density. Values > 6 show minimal to no improvement in the number of SCF steps. More...