Bath class implementation

Description

A class for the the effective_bath data structure describing the effective bath in the code.

Quick access

Routines:

allocate_dmft_bath(), deallocate_dmft_bath(), get_dmft_bath(), init_dmft_bath(), read_dmft_bath(), save_dmft_bath(), set_dmft_bath(), write_dmft_bath()

Used modules

• ed_input_vars: User-accessible input variables

• ed_vars_global: Global variable accessible throughout the code

• ed_aux_funx: Assortment of auxiliary procedures required throughout the code

• ed_bath_aux: Auxiliary routines for bath creation and manipulation

• ed_bath_replica: Routines for replica bath manipulation

• ed_bath_dim: Routines for bath dimension checks

External modules

• sf_constants

  • zero

• sf_iotools

  • free_unit()

  • reg()

  • file_length()

  • str()

• sf_linalg

  • eye()

  • inv()

• sf_arrays

  • linspace()

• sf_misc

  • assert_shape()

Subroutines and functions

subroutine  ed_bath_dmft/allocate_dmft_bath()

Allocate the effective_bath input dmft_bath_ according to the values of the global input parameters nspin , norb, nbath, ed_mode and bath_type.

The correct components of the effective_bath data structure are allocated.

allocated components of dmft_bath_

	normal	superc	nonsu2
normal	e , v	e , v, d	e , v, u
hybrid	e , v	e , v, d	e , v, u
replica	nbasis , item , item % lambda	nbasis , item , item % lambda	nbasis , item , item % lambda
general	nbasis , item , item % lambda , item % vg	nbasis , item , item % lambda , item % vg	nbasis , item , item % lambda , item % vg

subroutine  ed_bath_dmft/deallocate_dmft_bath()

Deallocate the effective_bath input dmft_bath

subroutine  ed_bath_dmft/init_dmft_bath()

Use :

ed_input_vars (nspin, norb, nbath)

subroutine  ed_bath_dmft/read_dmft_bath([used])

Options:

used [logical] – default=used

Use :

ed_input_vars (nspin, norb, nbath)

subroutine  ed_bath_dmft/save_dmft_bath([used])

Save the effective_bath to a file with .used or .restart extension according to input.

Options:

used [logical]

subroutine  ed_bath_dmft/write_dmft_bath([unit])

Options:

unit [integer]

Use :

ed_input_vars (nspin, norb, nbath)

subroutine  ed_bath_dmft/set_dmft_bath(bath_)

Set the effective_bath components from the input user bath bath_ , i.e. it dumps the user bath to the internal data structure.

Parameters:

bath_ (•) [real]

subroutine  ed_bath_dmft/get_dmft_bath(bath_)

Parameters:

bath_ (•) [real]

Use :

ed_input_vars (nspin, norb, nbath)