wann_control_type Derived Type

type, public :: wann_control_type

================================================== Contains parameters that control the wannierisation minimisation procedure ==================================================


Inherits

type~~wann_control_type~~InheritsGraph type~wann_control_type wann_control_type type~guiding_centres_type guiding_centres_type type~wann_control_type->type~guiding_centres_type guiding_centres type~wann_slwf_type wann_slwf_type type~wann_control_type->type~wann_slwf_type constrain

Inherited by

type~~wann_control_type~~InheritedByGraph type~wann_control_type wann_control_type type~lib_common_type lib_common_type type~lib_common_type->type~wann_control_type wann_control

Components

Type Visibility Attributes Name Initial
integer, public :: num_dump_cycles = 100

Number of steps before writing checkpoint
integer, public :: num_print_cycles = 1

Number of steps between writing output
integer, public :: num_iter = 100

Number of wannierisation iterations
integer, public :: num_cg_steps = 5

Number of Conjugate Gradient steps
real(kind=dp), public :: conv_tol = 1.0e-10_dp
integer, public :: conv_window
type(guiding_centres_type), public :: guiding_centres
logical, public :: use_ss_functional = .false.
real(kind=dp), public :: fixed_step = -999.0_dp
real(kind=dp), public :: trial_step = 2.0_dp
logical, public :: precond = .false.
logical, public :: lfixstep = .false.
real(kind=dp), public :: conv_noise_amp = -1.0_dp
integer, public :: conv_noise_num = 3
type(wann_slwf_type), public :: constrain

Source Code

  type wann_control_type ! only in wannierise.F90
    !!==================================================
    !! Contains parameters that control the wannierisation minimisation procedure
    !!==================================================
    integer :: num_dump_cycles = 100
    !! Number of steps before writing checkpoint
    integer :: num_print_cycles = 1
    !! Number of steps between writing output
    integer :: num_iter = 100
    !! Number of wannierisation iterations
    integer :: num_cg_steps = 5
    !! Number of Conjugate Gradient steps
    real(kind=dp) :: conv_tol = 1.0e-10_dp
    integer :: conv_window
    type(guiding_centres_type) :: guiding_centres
    logical :: use_ss_functional = .false.
    real(kind=dp) :: fixed_step = -999.0_dp
    real(kind=dp) :: trial_step = 2.0_dp
    logical :: precond = .false.
    logical :: lfixstep = .false. ! derived from input
    real(kind=dp) :: conv_noise_amp = -1.0_dp
    integer :: conv_noise_num = 3
    type(wann_slwf_type) :: constrain
  end type wann_control_type