Global Variables

Description

Contains all variables, arrays and derived types instances shared throughout the code. Specifically, it contains definitions of the effective_bath, the gfmatrix and the sector data structures.

Quick access

Types:

h_operator, sector_map, sector

Variables:

ed_file_suffix, imphloc, neigen_sector, nlevels, ns, ns_orb, ns_ud, nsectors, sph0, sph0d, sph0dws, sph0e_eph, sph0nd, sph0ph_eph, sph0ups

Used modules

  • sf_constants

  • sf_iotools

  • ed_sparse_matrix: This class defines a data structure to efficiently store sparse matrices into dedicated CSR matrices, featuring support to MPI parallel storage, so that each matrix is spread across the threads.

  • ed_sparse_map

  • ed_gfmatrix: Contains definition gfmatrix data structures which constains all the weights and poles of the impurity Green’s functions. This is essentially the result of the DMFT calculation, used to generate the Green’s functions and the related Self-energy

  • ed_input_vars: Contains all global input variables which can be set by the user through the input file. A specific preocedure ed_read_input() should be called to read the input file using parse_input_variable() procedure from SciFortran. All variables are automatically set to a default, looked for and updated by reading into the file and, sequentially looked for and updated from command line (std.input) using the notation variable_name=variable_value(s) (case independent).

  • mpi

  • sf_mpi

Types

type  ed_vars_global/h_operator

The matrix storing in the basis [nspin , nspin , norb , norb ] each element of the Matrix basis decomposing the replica/general bath Hamiltonian \(H_p=\sum_{i=1}^{N_{basis}} \lambda_i(p) O_i\), where \(N_{basis}\) is the dimension of the user defined basis.

Type fields:

  • o (•, •, •, •) [complex, allocatable] – Replica/General hamiltonian

type  ed_vars_global/sector_map
Type fields:

  • map (•) [integer, allocatable]

  • sp [sparse_map]

  • status [logical]

type  ed_vars_global/sector
Type fields:

  • index [integer]

  • h (•) [sector_map, allocatable]

  • dimups (•) [integer, allocatable]

  • dimdws (•) [integer, allocatable]

  • dimup [integer]

  • dimdw [integer]

  • dimel [integer]

  • dimph [integer]

  • dim [integer]

  • nups (•) [integer, allocatable]

  • ndws (•) [integer, allocatable]

  • nup [integer]

  • ndw [integer]

  • sz [integer]

  • ntot [integer]

  • twojz [integer]

  • nlanc [integer]

  • status [logical]

Variables

ed_vars_global/ed_file_suffix

suffix string attached to the output files.

Type:

character(len=32)

ed_vars_global/imphloc

local hamiltonian

Type:

complex(•, •, •, •)

Attributes:

allocatable

ed_vars_global/neigen_sector
Type:

integer(•)

Attributes:

allocatable

ed_vars_global/nlevels
Type:

integer

ed_vars_global/ns

Number of levels per spin

Type:

integer

Attributes:

save

ed_vars_global/ns_orb
Type:

integer

Attributes:

save

ed_vars_global/ns_ud
Type:

integer

Attributes:

save

ed_vars_global/nsectors

Number of sectors

Type:

integer

Attributes:

save

ed_vars_global/sph0
Type:

sparse_matrix_csr

ed_vars_global/sph0d

diagonal part

Type:

sparse_matrix_csr

ed_vars_global/sph0dws

reduced UP and DW parts

Type:

sparse_matrix_csr(•)

Attributes:

allocatable

ed_vars_global/sph0e_eph
Type:

sparse_matrix_csr

ed_vars_global/sph0nd

non-diagonal part

Type:

sparse_matrix_csr

ed_vars_global/sph0ph_eph

electron-phonon interaction

Type:

sparse_matrix_csr

ed_vars_global/sph0ups
Type:

sparse_matrix_csr(•)

Attributes:

allocatable