Global variables

These are global variables of the edipy2 module. They form a subset of the global variables of the EDIpack2 library. Along with all the other global variables, they can be set in the input file, and are read when calling the edipy2.global_env.read_input() function.

The exposed global variables can be accessed as methods of the edipy2.global_env class.

import numpy as np
from edipy2 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)

edipy2.global_env.beta

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

Type:: float
Default:: 1000.0

edipy2.global_env.Jh

Value of the Hund’s coupling

Type:: float
Default:: 0.0

edipy2.global_env.dmft_error

Error threshold for DMFT convergence

Type:: float
Default:: 1e-05

edipy2.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

Type:: bool
Default:: True

edipy2.global_env.ed_twin

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

Type:: bool
Default:: False

edipy2.global_env.eps

Broadening on the float-axis

Type:: float
Default:: 1e-02

edipy2.global_env.Jx

Value of the spin exchange coupling

Type:: float
Default:: 0.0

edipy2.global_env.Jp

Value of the pair hopping coupling

Type:: float
Default:: 0.0

edipy2.global_env.Lfloat

Number of frequencies, float frequency axis

Type:: int
Default:: 5000

edipy2.global_env.Lmats

Number of frequencies, Matsubara axis

Type:: int
Default:: 4096

edipy2.global_env.LOGfile

Log unit

Type:: int
Default:: 6

edipy2.global_env.Lpos

Number of points for the lattice PDF

Type:: int
Default:: 100

edipy2.global_env.Ltau

Number of imaginary time points

Type:: int
Default:: 1024

edipy2.global_env.Nbath

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

Type:: int
Default:: 6

edipy2.global_env.Nloop

Maximum number of DMFT loops

Type:: int
Default:: 100

edipy2.global_env.Norb

Number of correlated orbitals. Maximum 5 orbitals are supported

Type:: int
Default:: 1

edipy2.global_env.Nph

Max number of phonons allowed (cut off)

Type:: int
Default:: 0

edipy2.global_env.nread

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

Type:: float
Default:: 0.0

edipy2.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

Type:: int
Default:: 1

edipy2.global_env.Nsuccess

Number of successive iterations below threshold for convergence

Type:: int
Default:: 1

edipy2.global_env.sb_field

Value of a symmetry breaking field for magnetic solutions

Type:: float
Default:: 0.1

edipy2.global_env.Uloc

Values of the local interaction per orbital (max 5). If less values are provided, the array is filled in increasing order

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

edipy2.global_env.Ust

Value of the inter-orbital interaction term

Type:: float
Default:: 0.0

edipy2.global_env.wini

Value of the smallest float-axis frequency

Type:: float
Default:: -5.0

edipy2.global_env.wfin

Value of the largest float-axis frequency

Type:: float
Default:: -5.0

edipy2.global_env.xmin

Value for the smallest position for the lattice PDF

Type:: float
Default:: -3.0

edipy2.global_env.xmax

Value for the largest position for the lattice PDF

Type:: float
Default:: 3.0

edipy2.global_env.xmu

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

Type:: float
Default:: 0.0