rt_bse_io.F File Reference

#include "../base/base_uses.f90"

Go to the source code of this file.

Modules
module	rt_bse_io
	Input/output from the propagation via RT-BSE method.

Functions/Subroutines
subroutine, public	rt_bse_io::print_rtbse_header_info (rtbse_env)
	Writes the header and basic info to the standard output.
subroutine, public	rt_bse_io::print_etrs_info (rtbse_env, step, metric)
	Writes the update after single etrs iteration - only for log level > medium.
subroutine, public	rt_bse_io::print_etrs_info_header (rtbse_env)
	Writes the header for the etrs iteration updates - only for log level > medium.
subroutine, public	rt_bse_io::print_timestep_info (rtbse_env, step, convergence, electron_num_re, etrs_num)
	Writes the header for the etrs iteration updates - only for log level > medium.
subroutine, public	rt_bse_io::output_mos_contravariant (rtbse_env, rho, print_key_section)
	Outputs the matrix in MO basis for matrix coefficients corresponding to contravariant operator, i.e. density matrix.
subroutine, public	rt_bse_io::output_mos_covariant (rtbse_env, ham, print_key_section)
	Outputs the matrix in MO basis for matrix components corresponding to covariant representation, i.e. the Hamiltonian matrix.
subroutine, public	rt_bse_io::output_field (rtbse_env)
	Prints the current field components into a file provided by input.
subroutine, public	rt_bse_io::read_field (rtbse_env)
	Reads the field from the files provided by input - useful for the continuation run.
subroutine, public	rt_bse_io::output_moments (rtbse_env, rho)
	Outputs the expectation value of moments from a given density matrix.
subroutine, public	rt_bse_io::output_restart (rtbse_env, rho, time_index)
	Outputs the restart info (last finished iteration step) + restard density matrix.
subroutine, public	rt_bse_io::read_restart (rtbse_env)
	Reads the density matrix from restart files and updates the starting time.
subroutine, public	rt_bse_io::read_moments (rtbse_env)
	Reads the moments and time traces from the save files.
subroutine, public	rt_bse_io::output_moments_ft (rtbse_env)
	Outputs the Fourier transform of moments stored in the environment memory to the configured file.
subroutine, public	rt_bse_io::output_polarizability (rtbse_env)
	Outputs the isotropic polarizability tensor element alpha _ ij = mu_i(omega)/E_j(omega), where i and j are provided by the configuration. The tensor element is energy dependent and has real and imaginary parts.