LIBRPA::G0W0 Class Reference

Collaboration diagram for LIBRPA::G0W0:

Public Member Functions
	G0W0 (const MeanField &mf, const vector< Vector3_Order< double >> &kfrac_list, const TFGrids &tfg)
	G0W0 (const G0W0 &s_g0w0)=delete
	G0W0 (G0W0 &&s_g0w0)=delete
G0W0	operator= (const G0W0 &s_g0w0) const =delete
G0W0	operator= (G0W0 &&s_g0w0)=delete
void	build_spacetime_LibRI (const Cs_LRI &LRI_Cs, const map< double, atom_mapping< std::map< Vector3_Order< double >, matrix_m< complex< double >>>>::pair_t_old > &Wc_freq_q, const vector< Vector3_Order< int >> &Rlist, const Vector3_Order< int > &R_period)
	using native tensor contraction More...
void	build_sigc_matrix_KS ()
	build the correlation self-energy matrix in Kohn-Sham basis

Public Attributes
const MeanField &	mf
const vector< Vector3_Order< double > > &	kfrac_list
const TFGrids &	tfg
std::map< int, std::map< double, std::map< Vector3_Order< double >, atom_mapping< Matz >::pair_t_old > > >	sigc_is_f_k_IJ
	frequency-domain reciprocal-space correlation self-energy, indices [ispin][freq][k][I][J](n_I, n_J)
std::map< int, std::map< int, std::map< double, Matz > > >	sigc_is_ik_f_KS
	correlation self-energy matrix in the basis of KS states, indices [ispin][ik][freq](n_bands, n_bands)

Member Function Documentation

build_spacetime_LibRI()

void LIBRPA::G0W0::build_spacetime_LibRI	(	const Cs_LRI &	LRI_Cs,
		const map< double, atom_mapping< std::map< Vector3_Order< double >, matrix_m< complex< double >>>>::pair_t_old > &	Wc_freq_q,
		const vector< Vector3_Order< int >> &	Rlist,
		const Vector3_Order< int > &	R_period
	)

using native tensor contraction

using LibRI

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The documentation for this class was generated from the following files:

• gw.h
• gw.cpp