Global variables

These are global variables of the edipack2py module. They form a subset of the global variables of the EDIpack library. Along with all the other global variables, they can be set in the input file, and are read when calling the edipack2py.global_env.read_input() function.

The exposed global variables can be accessed as properties of the edipack2py.global_env class.

import numpy as np
from edipack2py import global_env as ed

ed.Nspin = 1            # set a global variable
mylocalvar = ed.Nspin   # assing to a local variable (the value of mylocalvar will not change if ed.Nspin changes)
print(ed.Nspin)         # all functions can have global variables as arguments
np.arange(ed.Nspin)

edipack2py.global_env.beta

Value of the inverse temperature, at T=0 is used as a IR cut-off

Accesses beta

Type:: float
Default:: 1000.0

edipack2py.global_env.Jh

Value of the Hund’s coupling

Accesses jh. Only relevant if ed_use_kanamori = T

Type:: float
Default:: 0.0

edipack2py.global_env.dmft_error

Error threshold for DMFT convergence

Accesses dmft_error

Type:: float
Default:: 1e-05

edipack2py.global_env.ed_total_ud

Flag to select which type of quantum numbers have to be considered: T (default) total Nup-Ndw, F orbital based Nup-Ndw.

Accesses ed_total_ud

Type:: bool
Default:: True

edipack2py.global_env.ed_twin

Flag to reduce (T) or not (F,default) the number of visited sector using twin symmetry

Accesses ed_twin

Type:: bool
Default:: False

edipack2py.global_env.eps

Broadening on the real-axis

Accesses eps

Type:: float
Default:: 1e-02

edipack2py.global_env.Jx

Value of the spin exchange coupling

Accesses jx. Only relevant if ed_use_kanamori = T

Type:: float
Default:: 0.0

edipack2py.global_env.Jp

Value of the pair hopping coupling

Accesses jp. Only relevant if ed_use_kanamori = T

Type:: float
Default:: 0.0

edipack2py.global_env.Lmats

Number of frequencies, Matsubara axis

Accesses lmats

Type:: int
Default:: 4096

edipack2py.global_env.LOGfile

Log unit

Accesses logfile

Type:: int
Default:: 6

edipack2py.global_env.Lpos

Number of points for the lattice PDF

Accesses lpos

Type:: int
Default:: 100

edipack2py.global_env.Lreal

Number of frequencies, real axis

Accesses lreal

Type:: int
Default:: 5000

edipack2py.global_env.Ltau

Number of imaginary time points

Accesses ltau

Type:: int
Default:: 1024

edipack2py.global_env.Nbath

Number of bath levels. See the specifics of the bath geometries

Accesses nbath

Type:: int
Default:: 6

edipack2py.global_env.Nloop

Maximum number of DMFT loops

Accesses nloop

Type:: int
Default:: 100

edipack2py.global_env.Norb

Number of correlated orbitals. Maximum 5 orbitals are supported

Accesses norb

Type:: int
Default:: 1

edipack2py.global_env.Nph

Max number of phonons allowed (cut off)

Accesses nph

Type:: int
Default:: 0

edipack2py.global_env.nread

Value of the target density for fixed density calculations. If valued 0, it is discarded.

Accesses nread

Type:: float
Default:: 0.0

edipack2py.global_env.Nspin

Number of explicitly defined spin degrees of freedom. If Nspin=1, the two spin block of the Hamiltonian, Green’s function, self-energy and so on are assumed equal. If Nspin=2 they may differ (e.g. for non-SU(2) or magnetic systems). The superconductive variant of the code requires Nspin=1

Accesses nspin

Type:: int
Default:: 1

edipack2py.global_env.Nsuccess

Number of successive iterations below threshold for convergence

Accesses nsuccess

Type:: int
Default:: 1

edipack2py.global_env.sb_field

Value of a symmetry breaking field for magnetic solutions

Accesses sb_field

Type:: float
Default:: 0.1

edipack2py.global_env.Uloc

Values of the local interaction per orbital. If less values are provided, the array is filled/updated in increasing order

Accesses uloc. Only relevant if ed_use_kanamori = T

Type:: float
Default:: [2.0, 0.0, 0.0, 0.0, 0.0]

edipack2py.global_env.Ust

Value of the inter-orbital interaction term.

Accesses ust. Only relevant if ed_use_kanamori = T

Type:: float
Default:: 0.0

edipack2py.global_env.wini

Value of the smallest real-axis frequency

Accesses wini

Type:: float
Default:: -5.0

edipack2py.global_env.wfin

Value of the largest real-axis frequency

Accesses wfin

Type:: float
Default:: 5.0

edipack2py.global_env.xmin

Value for the smallest position for the lattice PDF

Accesses xmin

Type:: float
Default:: -3.0

edipack2py.global_env.xmax

Value for the largest position for the lattice PDF

Accesses xmax

Type:: float
Default:: 3.0

edipack2py.global_env.xmu

Value of the chemical potential. If hfmode = T, xmu = 0 satisfies the half-filling condition

Accesses xmu

Type:: float
Default:: 0.0