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nlo_types::nlo_type Type Reference

Data Fields

integer order = 0
integer, dimension(3) k_mesh = 0
logical, dimension(:, :), allocatable elements
real(kind=dp) t1_au = 0.0_dp
real(kind=dp) t2_au = 0.0_dp
real(kind=dp) transition_width_au = 0.0_dp
type(nlo_frequency_type), dimension(5) frequency
integer n_frequency_combinations = 0
integer n_bands = 0
integer n_ao = 0
integer n_images = 0
integer n_kpoints = 0
integer n_spin = 0
real(kind=dp) min_direct_gap = 0.0_dp
real(kind=dp) projection_error = 0.0_dp
real(kind=dp), dimension(:, :, :, :), allocatable h_ao_r
real(kind=dp), dimension(:, :, :, :), allocatable s_ao_r
real(kind=dp), dimension(:, :, :, :), allocatable d_ao_r
complex(dp), dimension(:, :, :), allocatable current_spectrum
complex(dp), dimension(:, :, :, :), allocatable band_connection_derivatives
complex(dp), dimension(:, :, :), allocatable band_hamiltonian_derivatives
complex(dp), dimension(:, :), allocatable current_flat
complex(dp), dimension(:, :, :, :), allocatable position_derivatives
complex(dp), dimension(:, :, :), allocatable hamiltonian_derivatives
complex(dp), dimension(:, :, :), allocatable rho0_derivatives
complex(dp), dimension(:, :, :), allocatable overlap_derivatives
complex(dp), dimension(:, :, :), allocatable velocity
integer, dimension(:), allocatable occupied
real(kind=dp), dimension(:), allocatable energies
integer progress_done = 0
integer progress_next = 1
integer progress_total = 0
real(kind=dp) progress_start = 0.0_dp
type(cell_type), pointer cell => NULL()
type(kpoint_type), pointer images => NULL()
type(mo_set_type), dimension(:), pointer mos => NULL()
type(mp_para_env_type), pointer para_env => NULL()

Detailed Description

Definition at line 36 of file nlo_types.F.

Field Documentation

◆ order

integer nlo_types::nlo_type::order = 0

Definition at line 37 of file nlo_types.F.

◆ k_mesh

integer, dimension(3) nlo_types::nlo_type::k_mesh = 0

Definition at line 37 of file nlo_types.F.

◆ elements

logical, dimension(:, :), allocatable nlo_types::nlo_type::elements

Definition at line 39 of file nlo_types.F.

◆ t1_au

real(kind=dp) nlo_types::nlo_type::t1_au = 0.0_dp

Definition at line 40 of file nlo_types.F.

◆ t2_au

real(kind=dp) nlo_types::nlo_type::t2_au = 0.0_dp

Definition at line 41 of file nlo_types.F.

◆ transition_width_au

real(kind=dp) nlo_types::nlo_type::transition_width_au = 0.0_dp

Definition at line 42 of file nlo_types.F.

◆ frequency

type(nlo_frequency_type), dimension(5) nlo_types::nlo_type::frequency

Definition at line 43 of file nlo_types.F.

◆ n_frequency_combinations

integer nlo_types::nlo_type::n_frequency_combinations = 0

Definition at line 45 of file nlo_types.F.

◆ n_bands

integer nlo_types::nlo_type::n_bands = 0

Definition at line 47 of file nlo_types.F.

◆ n_ao

integer nlo_types::nlo_type::n_ao = 0

Definition at line 47 of file nlo_types.F.

◆ n_images

integer nlo_types::nlo_type::n_images = 0

Definition at line 47 of file nlo_types.F.

◆ n_kpoints

integer nlo_types::nlo_type::n_kpoints = 0

Definition at line 47 of file nlo_types.F.

◆ n_spin

integer nlo_types::nlo_type::n_spin = 0

Definition at line 47 of file nlo_types.F.

◆ min_direct_gap

real(kind=dp) nlo_types::nlo_type::min_direct_gap = 0.0_dp

Definition at line 53 of file nlo_types.F.

◆ projection_error

real(kind=dp) nlo_types::nlo_type::projection_error = 0.0_dp

Definition at line 53 of file nlo_types.F.

◆ h_ao_r

real(kind=dp), dimension(:, :, :, :), allocatable nlo_types::nlo_type::h_ao_r

Definition at line 57 of file nlo_types.F.

◆ s_ao_r

real(kind=dp), dimension(:, :, :, :), allocatable nlo_types::nlo_type::s_ao_r

Definition at line 57 of file nlo_types.F.

◆ d_ao_r

real(kind=dp), dimension(:, :, :, :), allocatable nlo_types::nlo_type::d_ao_r

Definition at line 57 of file nlo_types.F.

◆ current_spectrum

complex(dp), dimension(:, :, :), allocatable nlo_types::nlo_type::current_spectrum

Definition at line 62 of file nlo_types.F.

◆ band_connection_derivatives

complex(dp), dimension(:, :, :, :), allocatable nlo_types::nlo_type::band_connection_derivatives

Definition at line 65 of file nlo_types.F.

◆ band_hamiltonian_derivatives

complex(dp), dimension(:, :, :), allocatable nlo_types::nlo_type::band_hamiltonian_derivatives

Definition at line 65 of file nlo_types.F.

◆ current_flat

complex(dp), dimension(:, :), allocatable nlo_types::nlo_type::current_flat

Definition at line 65 of file nlo_types.F.

◆ position_derivatives

complex(dp), dimension(:, :, :, :), allocatable nlo_types::nlo_type::position_derivatives

Definition at line 65 of file nlo_types.F.

◆ hamiltonian_derivatives

complex(dp), dimension(:, :, :), allocatable nlo_types::nlo_type::hamiltonian_derivatives

Definition at line 65 of file nlo_types.F.

◆ rho0_derivatives

complex(dp), dimension(:, :, :), allocatable nlo_types::nlo_type::rho0_derivatives

Definition at line 65 of file nlo_types.F.

◆ overlap_derivatives

complex(dp), dimension(:, :, :), allocatable nlo_types::nlo_type::overlap_derivatives

Definition at line 65 of file nlo_types.F.

◆ velocity

complex(dp), dimension(:, :, :), allocatable nlo_types::nlo_type::velocity

Definition at line 65 of file nlo_types.F.

◆ occupied

integer, dimension(:), allocatable nlo_types::nlo_type::occupied

Definition at line 73 of file nlo_types.F.

◆ energies

real(kind=dp), dimension(:), allocatable nlo_types::nlo_type::energies

Definition at line 74 of file nlo_types.F.

◆ progress_done

integer nlo_types::nlo_type::progress_done = 0

Definition at line 77 of file nlo_types.F.

◆ progress_next

integer nlo_types::nlo_type::progress_next = 1

Definition at line 77 of file nlo_types.F.

◆ progress_total

integer nlo_types::nlo_type::progress_total = 0

Definition at line 77 of file nlo_types.F.

◆ progress_start

real(kind=dp) nlo_types::nlo_type::progress_start = 0.0_dp

Definition at line 80 of file nlo_types.F.

◆ cell

type(cell_type), pointer nlo_types::nlo_type::cell => NULL()

Definition at line 82 of file nlo_types.F.

◆ images

type(kpoint_type), pointer nlo_types::nlo_type::images => NULL()

Definition at line 83 of file nlo_types.F.

◆ mos

type(mo_set_type), dimension(:), pointer nlo_types::nlo_type::mos => NULL()

Definition at line 84 of file nlo_types.F.

◆ para_env

type(mp_para_env_type), pointer nlo_types::nlo_type::para_env => NULL()

Definition at line 85 of file nlo_types.F.

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