BS Module


Uses


Variables

Type Visibility Attributes Name Initial
logical, public :: l_BSE_minimize_memory
logical, public :: l_BSE_kernel_complete
logical, public :: l_BSE_kernel_full = .FALSE.
logical, public :: l_BSE_restart
logical, public :: BS_W_is_diagonal = .FALSE.
logical, public :: BS_K_coupling = .FALSE.
logical, public :: BS_K_anti_resonant = .FALSE.
logical, public :: BS_res_K_exchange = .FALSE.
logical, public :: BS_res_K_corr = .FALSE.
logical, public :: BS_cpl_K_exchange = .FALSE.
logical, public :: BS_cpl_K_corr = .FALSE.
logical, public :: BS_K_is_ALDA = .FALSE.
logical, public :: BS_not_const_eh_f = .FALSE.
logical, public :: BS_perturbative_SOC = .FALSE.
logical, public :: BS_K_has_been_calculated_loaded = .FALSE.
logical, public :: BSK_IO_sum_value
character(len=schlen), public :: BSE_L_kind
character(len=schlen), public :: BSE_disk_IO
character(len=schlen), public :: BSE_mode
character(len=schlen), public :: BSE_prop
character(len=schlen), public :: BSE_dipole_geometry = "none"
character(len=schlen), public :: BSK_mode
character(len=schlen), public :: BSK_IO_mode
character(len=schlen), public :: BSK_IO_shape
character(len=schlen), public :: BS_bands_frozen_ch = ""
logical, public :: l_BS_trace
logical, public :: l_BS_anomalous_hall
logical, public :: l_BS_jdos
logical, public :: l_BS_abs
logical, public :: l_BS_kerr
logical, public :: l_BS_kerr_asymm
logical, public :: l_BS_photolum
logical, public :: l_BS_magnons
logical, public :: l_BS_dichroism
logical, public :: l_BS_optics
logical, public :: l_BS_esort
logical, public :: l_BS_esort_indx
logical, public :: l_BS_mespin
logical, public :: l_BS_meorb
integer, public :: BS_K_dim(2)
integer, public :: BS_H_dim
integer, public :: BS_IO_dim(2,4)
integer, public :: MAX_BSK_LIN_size
integer, public :: BS_bands(2)
integer, public :: BS_q(2)
integer, public :: BS_iq_now
integer, public :: BS_identifier
integer, public :: BS_ID(3)
integer(kind=IPL), public :: BS_lin_size_compressed
integer, public :: BS_dip_size
real(kind=SP), public :: BS_field_direction(3,3)
real(kind=SP), public :: BS_max_val
real(kind=SP), public :: BS_K_cutoff
real(kind=SP), public, allocatable :: BS_K_cutoff_done(:)
real(kind=SP), public, allocatable :: BSqpts(:,:)
real(kind=SP), public, allocatable :: BS_kpt_bz(:,:)
real(kind=SP), public, allocatable :: BS_kpt_ibz(:,:)
integer, public, allocatable :: BS_K_io_map(:)
integer(kind=LP), public, allocatable :: BS_bands_frozen(:)
logical, public :: l_BS_ares_from_res = .TRUE.
logical, public :: l_BS_res_from_E
integer, public :: BS_res_ares_n_mat
integer, public :: BS_res_ares_n_grps
integer, public :: BS_n_eh_spaces
integer(kind=IP), public :: BS_LiveTiming_steps = 0
real(kind=SP), public :: BS_eh_en(2)
real(kind=SP), public :: BS_eh_win(2)
integer, public :: O_ng
integer, public :: BS_n_g_exch
integer, public :: BS_n_g_fxc
integer, public :: BS_n_g_W
type(elemental_collision), public, save :: K_EXCH_collision
type(elemental_collision), public, save :: K_CORR_collision
type(BS_T_group), public, allocatable, target :: BS_T_grp(:)
integer, public, allocatable :: BS_T_grp_1st_el(:)
integer, public, allocatable :: BS_nT_at_k(:)
integer, public, allocatable :: BS_nkFGbz_in_Tgrp(:)
integer, public :: BS_nT_grps
integer, public :: n_BS_blks
integer, public :: n_BS_blks_min
type(BS_block), public, allocatable, target :: BS_blk(:)
complex(kind=SP), public, allocatable :: WF_phase(:,:,:,:)
complex(kind=SP), public, allocatable DEV_ATTR :: BS_W(:,:,:)

Derived Types

type, public ::  BS_T_group

Components

Type Visibility Attributes Name Initial
integer, public :: i_T_ref
integer, public :: i_res_ares
integer, public :: ik
integer, public :: first_cv
integer, public :: size
integer, public, allocatable :: table(:,:)
real(kind=SP), public, allocatable :: E(:,:)
real(kind=SP), public, allocatable :: f(:)
real(kind=SP), public, allocatable :: f_RES(:)
real(kind=SP), public, allocatable :: f_PL(:,:)
real(kind=SP), public, allocatable :: W(:)
real(kind=SP), public, allocatable :: E_SOC_corr(:,:)
complex(kind=SP), public, allocatable :: Z(:)
complex(kind=SP), public, allocatable :: dipoles_opt(:,:,:)
complex(kind=SP), public, allocatable :: dipoles_orb(:,:,:)
complex(kind=SP), public, allocatable :: dipoles_mag(:,:,:)
complex(kind=SP), public, allocatable :: dipoles_spin(:,:,:)
complex(kind=SP), public, allocatable :: O_x(:,:)
complex(kind=SP), public, allocatable DEV_ATTR :: O_x_d(:,:)
complex(kind=SP), public, allocatable :: O_tddft_L(:,:,:,:)
complex(kind=SP), public, allocatable :: O_tddft_R(:,:,:,:)
complex(kind=SP), public, allocatable DEV_ATTR :: O_tddft_L_d(:,:,:,:)
complex(kind=SP), public, allocatable DEV_ATTR :: O_tddft_R_d(:,:,:,:)

type, public ::  BS_block

Components

Type Visibility Attributes Name Initial
integer, public :: ik
integer, public :: ip
integer, public :: iT_k
integer, public :: iT_p
integer, public :: iT_k_st
integer, public :: iT_p_st
integer, public :: ira_k
integer, public :: ira_p
integer, public :: size(2)
integer, public :: coordinate(2)
character(len=1), public :: mode
integer(kind=IPL), public, allocatable :: idx_compr(:)
complex(kind=SP), public, allocatable :: mat(:,:)
character(len=1), public, allocatable :: done(:,:)
integer, public, allocatable :: table(:,:)
real(kind=SP), public, allocatable :: E(:)
integer, public :: zise(2)
integer, public :: poordinate(2)
complex(kind=SP), public, allocatable :: tam(:,:)
integer, public :: N_oscillators
integer, public, allocatable :: kp_table(:,:)
integer, public, allocatable :: O_table(:,:,:,:,:,:,:)
complex(kind=SP), public, allocatable :: O_c(:,:)
complex(kind=SP), public, allocatable DEV_ATTR :: O_c_d(:,:)

Functions

public function T_group(I)

Arguments

Type IntentOptional Attributes Name
integer :: I

Return Value integer

public function BS_Block_size(i_block)

Arguments

Type IntentOptional Attributes Name
integer :: i_block

Return Value integer(kind=IP)


Subroutines

public subroutine BS_Blocks_and_Transitions_alloc(E, iT, dom_k_T_group)

Arguments

Type IntentOptional Attributes Name
type(levels), intent(in) :: E
integer, intent(in) :: iT
integer, intent(in) :: dom_k_T_group

public subroutine BS_Blocks_and_Transitions_free()

Arguments

None

public subroutine BS_Blocks_symmetrize_K()

Arguments

None

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