rpa_sigma_functional.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	rpa_sigma_functional::rpa_sigma_type

Modules
module	rpa_sigma_functional
	Routines to calculate RI-RPA energy and Sigma correction to the RPA energies using the cubic spline based on eigen values of Q(w).

Functions/Subroutines
subroutine, public	rpa_sigma_functional::rpa_sigma_create (rpa_sigma, sigma_param, fm_mat_q, unit_nr, para_env)
	... Collect the Q(w) (fm_mat_Q) matrix to create rpa_sigma a derived type variable. and write out the choosen parametrization for the cubic spline.
subroutine, public	rpa_sigma_functional::rpa_sigma_matrix_spectral (rpa_sigma, fm_mat_q, wj, para_env_rpa)
	... Diagonalize and store the eigenvalues of fm_mat_Q in rpa_sigmasigma_eigenvalue.
subroutine, public	rpa_sigma_functional::finalize_rpa_sigma (rpa_sigma, unit_nr, e_sigma_corr, para_env, do_minimax_quad)
	... Save the calculated value of E_c correction to the global variable and memory clean.