Octopus
oscillator_strength_oct_m Module Reference

Data Types

type  local_operator_t
 

Functions/Subroutines

subroutine ft (omega, power)
 
subroutine ft2 (omega, power)
 
subroutine local_operator_copy (o, i)
 
subroutine read_resonances_file (order, ffile, namespace, search_interval, final_time, nfrequencies)
 
subroutine analyze_signal (order, omega, search_interval, final_time, nresonances, nfrequencies, damping, namespace)
 
subroutine write_polarizability (namespace, nfrequencies, nresonances, dw, w, c0I2, gamma)
 Implements the SOS formula of the polarizability, and writes down to the "polarizability" file the real and imaginary part of the dynamical polarizability. More...
 
subroutine find_resonance (omega, leftbound, rightbound, nfrequencies)
 
subroutine resonance_first_order (omega, power, nw_subtracted, dw, leftbound, rightbound)
 
subroutine resonance_second_order (omega, power, nw_subtracted, leftbound, rightbound, c01, c02)
 
subroutine generate_signal (namespace, order, observable)
 
subroutine modify_ot (time_steps, dt, order, ot, omega, power)
 
subroutine write_ot (namespace, nspin, time_steps, dt, kick, order, ot, observable)
 
subroutine read_ot (namespace, nspin, order, nw_subtracted)
 
subroutine print_omega_file (namespace, omega, search_interval, final_time, nfrequencies)
 

Variables

integer, parameter sine_transform = 1
 
integer, parameter cosine_transform = 2
 
integer, dimension(2) observable
 
type(unit_system_tunits
 
real(real64), dimension(:), allocatable ot
 
type(kick_tkick
 
integer time_steps
 
real(real64) total_time
 
integer mode
 
real(real64) dt
 

Function/Subroutine Documentation

◆ ft()

subroutine oscillator_strength_oct_m::ft ( real(real64), intent(in)  omega,
real(real64), intent(out)  power 
)

Definition at line 157 of file oscillator_strength.F90.

◆ ft2()

subroutine oscillator_strength_oct_m::ft2 ( real(real64), intent(in)  omega,
real(real64), intent(out)  power 
)

Definition at line 192 of file oscillator_strength.F90.

◆ local_operator_copy()

subroutine oscillator_strength_oct_m::local_operator_copy ( type(local_operator_t), intent(inout)  o,
type(local_operator_t), intent(inout)  i 
)

Definition at line 229 of file oscillator_strength.F90.

◆ read_resonances_file()

subroutine oscillator_strength_oct_m::read_resonances_file ( integer, intent(inout)  order,
character(len=*), intent(in)  ffile,
type(namespace_t), intent(in)  namespace,
real(real64), intent(inout)  search_interval,
real(real64), intent(in)  final_time,
integer, intent(in)  nfrequencies 
)

Definition at line 252 of file oscillator_strength.F90.

◆ analyze_signal()

subroutine oscillator_strength_oct_m::analyze_signal ( integer, intent(inout)  order,
real(real64), intent(inout)  omega,
real(real64), intent(inout)  search_interval,
real(real64), intent(inout)  final_time,
integer, intent(inout)  nresonances,
integer, intent(inout)  nfrequencies,
real(real64), intent(in)  damping,
type(namespace_t), intent(in)  namespace 
)

Definition at line 380 of file oscillator_strength.F90.

◆ write_polarizability()

subroutine oscillator_strength_oct_m::write_polarizability ( type(namespace_t), intent(in)  namespace,
integer, intent(in)  nfrequencies,
integer, intent(in)  nresonances,
real(real64), intent(in)  dw,
real(real64), dimension(nresonances), intent(in)  w,
real(real64), dimension(nresonances), intent(in)  c0I2,
real(real64), intent(in)  gamma 
)

Implements the SOS formula of the polarizability, and writes down to the "polarizability" file the real and imaginary part of the dynamical polarizability.

Definition at line 506 of file oscillator_strength.F90.

◆ find_resonance()

subroutine oscillator_strength_oct_m::find_resonance ( real(real64), intent(inout)  omega,
real(real64), intent(in)  leftbound,
real(real64), intent(in)  rightbound,
integer, intent(in)  nfrequencies 
)

Definition at line 548 of file oscillator_strength.F90.

◆ resonance_first_order()

subroutine oscillator_strength_oct_m::resonance_first_order ( real(real64), intent(in)  omega,
real(real64), intent(out)  power,
integer, intent(in)  nw_subtracted,
real(real64), intent(in)  dw,
real(real64), intent(in)  leftbound,
real(real64), intent(in)  rightbound 
)

Definition at line 607 of file oscillator_strength.F90.

◆ resonance_second_order()

subroutine oscillator_strength_oct_m::resonance_second_order ( real(real64), intent(in)  omega,
real(real64), intent(out)  power,
integer, intent(in)  nw_subtracted,
real(real64), intent(in)  leftbound,
real(real64), intent(in)  rightbound,
real(real64), intent(in)  c01,
real(real64), intent(in)  c02 
)

Definition at line 649 of file oscillator_strength.F90.

◆ generate_signal()

subroutine oscillator_strength_oct_m::generate_signal ( type(namespace_t), intent(in)  namespace,
integer, intent(in)  order,
integer, dimension(2), intent(in)  observable 
)

Definition at line 697 of file oscillator_strength.F90.

◆ modify_ot()

subroutine oscillator_strength_oct_m::modify_ot ( integer, intent(in)  time_steps,
real(real64), intent(in)  dt,
integer, intent(in)  order,
real(real64), dimension(0:time_steps), intent(inout)  ot,
real(real64), intent(in)  omega,
real(real64), intent(in)  power 
)

Definition at line 923 of file oscillator_strength.F90.

◆ write_ot()

subroutine oscillator_strength_oct_m::write_ot ( type(namespace_t), intent(in)  namespace,
integer, intent(in)  nspin,
integer, intent(in)  time_steps,
real(real64), intent(in)  dt,
type(kick_t), intent(in)  kick,
integer, intent(in)  order,
real(real64), dimension(0:time_steps), intent(in)  ot,
integer, dimension(2), intent(in)  observable 
)

Definition at line 958 of file oscillator_strength.F90.

◆ read_ot()

subroutine oscillator_strength_oct_m::read_ot ( type(namespace_t), intent(in)  namespace,
integer, intent(out)  nspin,
integer, intent(out)  order,
integer, intent(out)  nw_subtracted 
)

Definition at line 1022 of file oscillator_strength.F90.

◆ print_omega_file()

subroutine oscillator_strength_oct_m::print_omega_file ( type(namespace_t), intent(in)  namespace,
real(real64), intent(inout)  omega,
real(real64), intent(inout)  search_interval,
real(real64), intent(inout)  final_time,
integer, intent(inout)  nfrequencies 
)

Definition at line 1113 of file oscillator_strength.F90.

Variable Documentation

◆ sine_transform

integer, parameter oscillator_strength_oct_m::sine_transform = 1

Definition at line 135 of file oscillator_strength.F90.

◆ cosine_transform

integer, parameter oscillator_strength_oct_m::cosine_transform = 2

Definition at line 135 of file oscillator_strength.F90.

◆ observable

integer, dimension(2) oscillator_strength_oct_m::observable

Definition at line 145 of file oscillator_strength.F90.

◆ units

type(unit_system_t) oscillator_strength_oct_m::units

Definition at line 146 of file oscillator_strength.F90.

◆ ot

real(real64), dimension(:), allocatable oscillator_strength_oct_m::ot

Definition at line 147 of file oscillator_strength.F90.

◆ kick

type(kick_t) oscillator_strength_oct_m::kick

Definition at line 148 of file oscillator_strength.F90.

◆ time_steps

integer oscillator_strength_oct_m::time_steps

Definition at line 149 of file oscillator_strength.F90.

◆ total_time

real(real64) oscillator_strength_oct_m::total_time

Definition at line 150 of file oscillator_strength.F90.

◆ mode

integer oscillator_strength_oct_m::mode

Definition at line 151 of file oscillator_strength.F90.

◆ dt

real(real64) oscillator_strength_oct_m::dt

Definition at line 152 of file oscillator_strength.F90.