Bath class definition

In ED_VARS_GLOBAL a suitable data structure effective_bath is defined. This type encapsulates the discretized effective bath of the quantum impurity problem. A global instance of the bath dmft_bath is then shared through the code to store the current state of the user provided bath.

type  effective_bath_component

Effective bath component for the replica/general bath. Each istance of this type defines the parameters \(\vec{\lambda}\) and the amplitudes \(\vec{V}\). The first is used to decompose the Hamiltonian of each element of the bath \(H_p=\sum_{i=1}^{N_{basis}} \lambda_i(p) O_i\), the latter describes the hopping from/to the impurity.

Type fields:

  • v [real]

  • vg (•) [real, allocatable]

  • lambda (•) [real, allocatable] – [nsym]

type  effective_bath

This structure describes the (effective) discretized bath used in the contruct the Hamiltonian of the quantum impurity system. Each element of this structure is allocated and used according the value of ed_mode = normal,superc,nonsu2 and bath_type = normal,hybrid,replica,general.

Type fields:

  • e (•, •, •) [real, allocatable] – local energies [ nspin ][ norb ][ bath ]/[ nspin ][ 1 ][ nspin ]

  • v (•, •, •) [real, allocatable] – spin-keep hyb. [ nspin ][ norb ][ nbath ]

  • d (•, •, •) [real, allocatable] – SC amplitues [ nspin ][ norb ][ nbath ]/[ norb ][ 1 ][ norb ]

  • u (•, •, •) [real, allocatable] – spin-flip hyb. [ nspin ][ norb ][ nbath ] for ed_mode = nonsu2

  • nbasis [integer] – The replica/general Matrix basis dimension

  • item (•) [effective_bath_component, allocatable] – [ nbath ] Replica/General bath components, V included

  • status [logical]

dmft_bath

instance of effective_bath used to store the quantum impurity effective bath in the rest of the code

Type:

effective_bath