Bath Replica

Description

This module implements the functions to set the matrix basis \(\{ \hat{O}_i \}_{i=1,\dots,N_{sym}}\) and the initial variational parameters \(\vec{\lambda}\) used to decompose each local bath hamiltonian for the replica and general bath types. The functions extends the functionalities to the case of multiple inequivalent impurities.

Quick access

Variables:

hlambda_ineq

Routines:

hreplica_site(), set_hgeneral(), set_hreplica()

Used modules

• edipack2: EDIpack2.0 library frontend

• e2i_vars_global: Global variables, inequivalent sites version

• e2i_aux_funx: Assortment of auxiliary procedures, inequivalent sites version

External modules

• sf_constants

  • zero

• sf_iotools

  • free_unit()

  • reg()

  • file_length()

  • str()

• sf_linalg

  • eye()

  • inv()

• sf_arrays

  • linspace()

• sf_misc

  • assert_shape()

Variables

e2i_bath_replica/hlambda_ineq

rank-3 array, dimensions: [ nlat , nbath , nsym ]. Stores the initial values of parameters the \(\lambda_i\) for the baths matrix decomposition

Type:

real(•, •, •)

Attributes:

public, allocatable

Subroutines and functions

interface  e2i_bath_replica/set_hreplica(hvec, lambdavec)

This function sets the matrix basis \(\{ \hat{O}_i \}_{i=1,\dots,N_{sym}}\) used to decompose the single bath hamiltonian \(h^p\). It also sets the initial values of the variational parameters \(\vec{\lambda}\) in the replica ath type.

Input: Hvec

• rank-5, dimensions: [ nnambu . nspin , nnambu . nspin, norb , norb , nsym ]

• rank-3, dimensions: [ nnambu . nspin. norb , nnambu . nspin. norb, nsym ]

Input: lambdavec

• rank-2, dimensions: [ nbath , nsym ]

• rank-3, dimensions: [ nlat , nbath , nsym ]

Parameters:

• hvec (various shapes) [complex] – [size(H),Nsym]

• lambdavec (•, •, •) [real] – [Nlat,Nbath,Nsym]

interface  e2i_bath_replica/set_hgeneral(hvec, lambdavec)

A clone of set_Hreplica

Parameters:

• hvec (various shapes) [complex] – [size(H),Nsym]

• lambdavec (•, •, •) [real] – [Nlat,Nbath,Nsym]

subroutine  e2i_bath_replica/hreplica_site(site)

Set the current initial value of the replica bath parameters to the current inequivalent impurity \(\lambda_0=\lambda_{site}\)

Parameters:

site [integer] – the index of the inequivalent impurity

Use :

ed_input_vars (nspin, norb, nbath)