negf_green_methods.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	negf_green_methods::sancho_work_matrices_type

Modules
module	negf_green_methods
	Subroutines to compute Green functions.

Functions/Subroutines
subroutine, public	negf_green_methods::sancho_work_matrices_create (work, fm_struct)
	Create work matrices required for the Lopez-Sancho algorithm.
subroutine, public	negf_green_methods::sancho_work_matrices_release (work)
	Release work matrices.
subroutine, public	negf_green_methods::do_sancho (g_surf, omega, h0, s0, h1, s1, conv, transp, work)
	Iterative method to compute a retarded surface Green's function at the point omega.
subroutine, public	negf_green_methods::negf_contact_self_energy (self_energy_c, omega, g_surf_c, h_sc0, s_sc0, zwork1, zwork2, transp)
	Compute the contact self energy at point 'omega' as self_energy_C = [omega * S_SC0 - KS_SC0] * g_surf_c(omega - v_C) * [omega * S_SC0 - KS_SC0]^T, where C stands for the left (L) / right (R) contact.
subroutine, public	negf_green_methods::negf_contact_broadening_matrix (gamma_c, self_energy_c)
	Compute contact broadening matrix as gamma_C = i (self_energy_c^{ret.} - (self_energy_c^{ret.})^C)
subroutine, public	negf_green_methods::negf_retarded_green_function (g_ret_s, omega, self_energy_ret_sum, h_s, s_s, v_hartree_s)
	Compute the retarded Green's function at point 'omega' as G_S^{ret.} = [ omega * S_S - KS_S - \sum_{contact} self_energy_{contact}^{ret.}]^{-1}.