gw_compute_V_and_W.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	gw_compute_v_and_w
	Coulomb matrices and screened interactions for imaginary-time GW.

Functions/Subroutines
subroutine, public	gw_compute_v_and_w::compute_w (bs_env, qs_env, mat_chi_gamma_tau, fm_w_time)
	Computes the screened Coulomb interaction on the imaginary-time grid, entirely in the RI auxiliary (PQ) basis: χ_PQ(iω) = Σ_τ w(ω,τ) cos(ωτ) χ_PQ(iτ) (cosine transform) ε(iω) = Id - V^0.5 M^-1 χ(iω) M^-1 V^0.5 (dielectric function) W(iω) = V^0.5 ( ε^-1(iω) - Id ) V^0.5 (correlation part only) W(iτ) = Σ_ω w̃(τ,ω) cos(ωτ) W(iω) (back transform) W(iτ) <- M^-1 W(iτ) M^-1 (fold in the RI metric) where V is the bare Coulomb matrix and M the RI metric.
subroutine, public	gw_compute_v_and_w::get_w_mic (bs_env, qs_env, mat_chi_gamma_tau, fm_w_mic_time)
	...
subroutine, public	gw_compute_v_and_w::compute_v_k_by_lattice_sum (bs_env, qs_env, cfm_v_kp, ikp_batch)
	...
subroutine, public	gw_compute_v_and_w::compute_minvvsqrt_vsqrt (bs_env, qs_env, cfm_v_kp, cfm_v_sqrt_ikp, cfm_m_inv_v_sqrt_ikp, ikp)
	...
subroutine, public	gw_compute_v_and_w::compute_fm_w_mic_freq_j_from_chi (bs_env, qs_env, fm_w_mic_freq_j, j_w, ikp, cfm_m_inv_v_sqrt_ikp, cfm_v_sqrt_ikp)
	W_PQ^MIC(iω_j) from χ_PQ(iω_j,k=0) in bs_envfm_chi_Gamma_freq.
subroutine, public	gw_compute_v_and_w::apply_extrapol_factor (bs_env, fm_w_mic_time)
	...
subroutine, public	gw_compute_v_and_w::fm_read (fm, bs_env, mat_name, idx)
	...
subroutine, public	gw_compute_v_and_w::fm_write (fm, matrix_index, matrix_name, qs_env, matrix)
	Write a GW restart matrix when requested by the print key.
subroutine, public	gw_compute_v_and_w::get_v_tr_r (v_tr_r, pot_type, regularization_ri, bs_env, qs_env)
	...