Input / Output Functions

Description

Contains a set of routines that retrieve quantities such as Green’s functions, self-energies (see ed_greens_functions ) and observables (from ed_observables ) and pass them to the user, as well ass routines to read and store Green’s function and self-energies.

Quick access

Used modules

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).
ed_vars_global: 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.
ed_aux_funx: Hosts a number of auxiliary procedures required in different parts of the code. Specifically, it implements: creation/annihilation fermionic operators, binary decomposition of integer representation of Fock states and setup the local impurity Hamiltonian
ed_setup: Contains procedures to set up the Exact Diagonalization calculation, executing all internal consistency checks and allocation of the global memory.
ed_bath: Contains routines for setting, accessing, manipulating and clearing the bath of the Impurity problem.
sf_linalg
sf_spin
sf_arrays
- linspace()
- arange()
sf_iotools
- str()
- reg()
- free_unit()
- splot()
- sread()
sf_misc
- assert_shape()

Subroutines and functions

interface ed_io/ed_get_sigma(self, nlat[, axis, type])

This subrotine gets from the EDIpack2 library the value of the self-energy calculated on the Matsubara or real-frequency axis, with number of frequencies lmats or lreal .

The self-energy is an array having the following possible dimensions:

[nspin \(\cdot\) norb, nspin\(\cdot\)norb, lmats / lreal]

[nlat \(\cdot\) nspin \(\cdot\) norb, nlat \(\cdot\) nspin \(\cdot\) norb, lmats / lreal]

[nlat, nspin \(\cdot\) norb, nspin \(\cdot\) norb, lmats / lreal]

[nspin, nspin, norb, norb, lmats / lreal]

[nlat, nspin, nspin, norb, norb, lmats / lreal]

Parameters:

self (various shapes) [complex, inout] – Self-energy matrix
nlat [integer, in] – Number of inequivalent impurity sites for real-space DMFT

Options:

axis [character(len=*)] – Can be "m" for Matsubara (default), "r" for real
type [character(len=*)] – Can be "n" for Normal (default), "a" for anomalous

interface ed_io/ed_get_gimp(self, nlat[, axis, type])

This subroutine gets from the EDIpack2 library the value of the impurity Green’s function calculated on the Matsubara or real-frequency axis, with number of frequencies lmats or lreal .

The impurity Green’s function is an array having the following possible dimensions:

[nspin \(\cdot\) norb, nspin\(\cdot\)norb, lmats / lreal]

[nlat \(\cdot\) nspin \(\cdot\) norb, nlat \(\cdot\) nspin \(\cdot\) norb, lmats / lreal]

[nlat, nspin \(\cdot\) norb, nspin \(\cdot\) norb, lmats / lreal]

[nspin, nspin, norb, norb, lmats / lreal]

[nlat, nspin, nspin, norb, norb, lmats / lreal]

Parameters:

self (various shapes) [complex, inout] – Green’s function matrix
nlat [integer, in] – Number of inequivalent impurity sites for real-space DMFT

Options:

axis [character(len=*)] – Can be "m" for Matsubara (default), "r" for real
type [character(len=*)] – Can be "n" for Normal (default), "a" for anomalous

interface ed_io/ed_get_g0imp(self, bath[, axis, type])

This subroutine gets from the EDIpack2 library the value of the impurity non-interacting Green’s function calculated on the Matsubara or real-frequency axis, with number of frequencies lmats or lreal .

It autonomously decides whether the system is single-impurity or real-space DMFT based on the bath shape

The impurity non-interacting Green’s function is an array having the following possible dimensions:

[nspin \(\cdot\) norb, nspin\(\cdot\)norb, lmats / lreal]

[nlat \(\cdot\) nspin \(\cdot\) norb, nlat \(\cdot\) nspin \(\cdot\) norb, lmats / lreal]

[nlat, nspin \(\cdot\) norb, nspin \(\cdot\) norb, lmats / lreal]

[nspin, nspin, norb, norb, lmats / lreal]

[nlat, nspin, nspin, norb, norb, lmats / lreal]

The bath is an array having the following possible dimensions:

[nb] for single-impurity DMFT

[nlat, nb] for real-space DMFT, with nlat the number of inequivalent impurity sites

Where nb is the length of the bath array.

Parameters:

self (various shapes) [complex, inout] – Non-interacting Green’s function matrix
bath (various shapes) [real] – The bath vector

Options:

axis [character(len=*)] – Can be "m" for Matsubara (default), "r" for real
type [character(len=*)] – Can be "n" for Normal (default), "a" for anomalous

interface ed_io/ed_build_gimp(zeta, gimp, nlat[, fimp])

This subroutine returns to the user the impurity Green’s function matrix calculated at any provided frequency in the complex plane, by obtaining it from the stored poles and weights.

The impurity Green’s function is an array having the following possible dimensions:

[nspin \(\cdot\) norb, nspin\(\cdot\)norb, size(zeta)]

[nlat \(\cdot\) nspin \(\cdot\) norb, nlat \(\cdot\) nspin \(\cdot\) norb, size(zeta)]

[nlat, nspin \(\cdot\) norb, nspin \(\cdot\) norb, size(zeta)]

[nspin, nspin, norb, norb, size(zeta)]

[nlat, nspin, nspin, norb, norb, size(zeta)]

Parameters:

zeta (•) [complex] – array of frequencies
gimp (various shapes) [complex] – impurity Green’s function matrix (ed_mode = normal/nonsu2 )
nlat [integer] – Number of inequivalent impurity sites for real-space DMFT

Options:

fimp (various shapes) [complex] – anomalous impurity Green’s function matrix ( ed_mode = superc )

interface ed_io/ed_build_sigma(zeta, sigma, nlat[, self])

This subroutine returns to the user the self-energy matrix calculated at any provided frequency in the complex plane, by obtaining it from the stored poles and weights

The self-energy is an array having the following possible dimensions:

[nspin \(\cdot\) norb, nspin\(\cdot\)norb, size(zeta)]

[nlat \(\cdot\) nspin \(\cdot\) norb, nlat \(\cdot\) nspin \(\cdot\) norb, size(zeta)]

[nlat, nspin \(\cdot\) norb, nspin \(\cdot\) norb, size(zeta)]

[nspin, nspin, norb, norb, size(zeta)]

[nlat, nspin, nspin, norb, norb, size(zeta)]

Parameters:

zeta (•) [complex] – array of frequencies
sigma (various shapes) [complex] – self-energy matrix (ed_mode = normal/nonsu2 )
nlat [integer] – Number of inequivalent impurity sites for real-space DMFT

Options:

self (various shapes) [complex] – anomalous self-energy matrix ( ed_mode = superc )

interface ed_io/ed_get_g0and(x, bath_, g0and[, axis, type])

This subroutine returns to the user the normal non-interacting Green’s function \(G_0(x)\) and the anomalous non-interacting Green’s function \(F_0(x)\) on a given set of frequencies. It does so by calling g0and_bath_function() and g0and_bath_function().

The non-interacting Green’s function is an array having the following possible dimensions:

[nspin \(\cdot\) norb, nspin\(\cdot\)norb, size(x)]

[nspin, nspin, norb, norb, size(x)]

Parameters:

x (•) [complex, in] – complex array of frequencies
bath_ (•) [real] – user-accessible bath array
g0and (various shapes) [complex] – non-interacting Green’s function

Options:

axis [character(len=*)] – string indicating the desired axis, 'm' for Matsubara (default), 'r' for Real-axis
type [character(len=*)] – string indicating the desired function, 'n' for normal (default), 'a' for anomalous

interface ed_io/ed_get_delta(x, bath_, delta[, axis, type])

This subroutine returns to the user the normal hybridization function \(\Delta(x)\) and the anomalous hybridization function \(\Theta(x)\) on a given set of frequencies. It does so by calling delta_bath_function() and fdelta_bath_function().

The hybridization function is an array having the following possible dimensions:

[nspin \(\cdot\) norb, nspin\(\cdot\)norb, size(x)]

[nspin, nspin, norb, norb, size(x)]

Parameters:

x (•) [complex, in] – complex array of frequencies
bath_ (•) [real] – user-accessible bath array
delta (various shapes) [complex] – hybridization function

Options:

axis [character(len=*)] – string indicating the desired axis, 'm' for Matsubara (default), 'r' for Real-axis
type [character(len=*)] – string indicating the desired function, 'n' for normal (default), 'a' for anomalous

interface ed_io/ed_get_dens(self, nlat[, iorb, nlat])

This subroutine gets from the EDIpack2 library the value of the charge density and passes it to the user.

The self variable can have the following dimensions:

scalar: if iorb is provided for single-impurity DMFT, density for that orbital

[norb]: if no optional variable is provided for single-impurity DMFT, density for all orbitals

[nlat]: if iorb (default = 1) is provided for real-space DMFT with nlat impurities, density for that orbital for all impurity sites

[nlat, norb]: if nlat is provided for real-space DMFT, density for all impurity sites and orbitals

Parameters:

self (various shapes) [real] – The density value or array of values

Options:

iorb [integer] – the orbital index
nlat [integer] – the number of inequivalent impurity sites for real-space DMFT

interface ed_io/ed_get_mag(self, nlat[, component, iorb, nlat])

This subroutine gets from the EDIpack2 library the value of the magnetization and passes it to the user.

The self variable can have the following dimensions:

scalar: if component and iorb are provided for single-impurity DMFT, given magnetization component for that orbital

[norb]: for single-impurity DMFT, one magnetization component for all orbitals

[nlat]: for real-space DMFT with nlat impurities, magnetization for that orbital for all impurity sites

[nlat, norb]: if nlat is provided for real-space DMFT, one magnetization component for all orbitals and impurity sites

[nlat, 3, norb]: if nlat is provided for real-space DMFT, all magnetization components for all orbitals and sites

Parameters:

self (various shapes) [real] – Magnetization

Options:

component [character(len=1)] – Component of the magnetization, can be "x", "y", "z" (default "z" )
iorb [integer] – Orbital (default 1)
nlat [integer] – Number of inequivalent impurities for real-space DMFT

interface ed_io/ed_get_docc(self, nlat[, iorb, nlat])

This subroutine gets from the EDIpack2 library the value of the double occupation and passes it to the user.

The self variable can have the following dimensions:

scalar: if iorb is provided for single-impurity DMFT, dobule-occupation for that orbital

[norb]: if no optional variable is provided for single-impurity DMFT, double-occupation for all orbitals

[nlat]: if iorb (default = 1) is provided for real-space DMFT with nlat impurities, double-occupation for that orbital for all impurity sites

[nlat, norb]: if nlat is provided for real-space DMFT, double-occupation for all impurity sites and orbitals

Parameters:

self (various shapes) [real] – double-occupation value or array of values

Options:

iorb [integer] – orbital index
nlat [integer] – number of inequivalent impurity sites for real-space DMFT

interface ed_io/ed_get_phi(self, nlat[, iorb, nlat])

This subroutine gets from the EDIpack2 library the value of the superconducting order parameter \(\phi\) ( ed_mode = superc ) and passes it to the user.

The self variable can have the following dimensions:

scalar: if iorb is provided for single-impurity DMFT, \(\phi\) for that orbital

[norb]: if no optional variable is provided for single-impurity DMFT, \(\phi\) for all orbitals

[nlat]: if iorb (default = 1) is provided for real-space DMFT with nlat impurities, \(\phi\) for that orbital for all impurity sites

[nlat, norb]: if nlat is provided for real-space DMFT, \(\phi\) for all impurity sites and orbitals

Parameters:

self (various shapes) [real] – \(\phi\) value or array of values

Options:

iorb [integer] – orbital index
nlat [integer] – number of inequivalent impurity sites for real-space DMFT

interface ed_io/ed_get_eimp(self, nlat)

This subroutine gets from the EDIpack2 library and passes to the user the array [ ed_epot , ed_eint , ed_ehartree , ed_eknot ]. These are the expectation values various contribution to the internal energy

ed_epot = energy contribution from the interaction terms, including the Hartree term

ed_eint = energy contribution from the interaction terms, excluding the Hartree term

ed_ehartree = \(-\frac{U}{2} \sum_{i} \langle n_{i\uparrow} + n_{i\downarrow} \rangle -\frac{2U^{'}-J_{H}}{2} \sum_{i < j} \langle n_{i\uparrow}+n_{i\downarrow} + n_{i\downarrow}+n_{j\downarrow} \rangle +\frac{U}{4} + \frac{2U^{'}-J_{H}}{2}\) for \(i,j\) orbitals

ed_eknot = kinetic term from the local 1-body Hamiltonian

The returned array can have the following dimensions:

[4]: for single-site DMFT

[nlat, 4]: for real-space DMFT with nlat impurities

Parameters:

self (various shapes) [real] – energy components array
nlat [integer] – number of inequivalent impurity sites for real-space DMFT

interface ed_io/ed_get_epot(self, nlat)

This subroutine gets from the EDIpack2 library and passes to the user the value of ed_epot, the energy contribution from the interaction terms, including the Hartree term. The returned array can have the following dimensions:

scalar: for single-site DMFT

[nlat]: for real-space DMFT with nlat impurities

Parameters:

self (various shapes) [real] – value of ed_epot
nlat [integer] – number of inequivalent impurity sites for real-space DM

interface ed_io/ed_get_eint(self, nlat)

This subroutine gets from the EDIpack2 library and passes to the user the value of ed_int, the energy contribution from the interaction terms, excluding the Hartree term. The returned array can have the following dimensions:

scalar: for single-site DMFT

[nlat]: for real-space DMFT with nlat impurities

Parameters:

self (various shapes) [real] – value of ed_int
nlat [integer] – number of inequivalent impurity sites for real-space DM

interface ed_io/ed_get_ehartree(self, nlat)

This subroutine gets from the EDIpack2 library and passes to the user the value of the Hartree potential ed_ehartree. The returned array can have the following dimensions:

scalar: for single-site DMFT

[nlat]: for real-space DMFT with nlat impurities

Parameters:

self (various shapes) [real] – value of ed_ehartree
nlat [integer] – number of inequivalent impurity sites for real-space DM

interface ed_io/ed_get_eknot(self, nlat)

This subroutine gets from the EDIpack2 library and passes to the user the value ed_eknot, the kinetic term from the local 1-body Hamiltonian The returned array can have the following dimensions:

scalar: for single-site DMFT

[nlat]: for real-space DMFT with nlat impurities

Parameters:

self (various shapes) [real] – value of ed_eknot
nlat [integer] – number of inequivalent impurity sites for real-space DM

interface ed_io/ed_get_doubles(self, nlat)

This subroutine gets from the EDIpack2 library and passes to the user the array [ ed_dust , ed_dund , ed_dse , ed_dph ]. These are the expectation values of the two-body operators associated with the density-density inter-orbital interaction (with opposite and parallel spins), spin-exchange and pair-hopping.

ed_dust = \(\sum_{i < j} n_{i\uparrow}n_{j\downarrow} + n_{i\downarrow}n_{j\uparrow}\) for \(i,j\) orbitals

ed_dund = \(\sum_{i < j} n_{i\uparrow}n_{j\uparrow} + n_{i\downarrow}n_{j\downarrow}\) for \(i,j\) orbitals

ed_dse = \(\sum_{i < j} c^{\dagger}_{i\uparrow}c^{\dagger}_{j\uparrow}c_{i\downarrow}c_{j\uparrow}\) for \(i,j\) orbitals

ed_dph = \(\sum_{i < j} c^{\dagger}_{i\uparrow}c^{\dagger}_{i\downarrow}c_{j\downarrow}c_{j\uparrow}\) for \(i,j\) orbitals

The returned array can have the following dimensions:

[4]: for single-site DMFT

[nlat, 4]: for real-space DMFT with nlat impurities

Parameters:

self (various shapes) [real] – array of two-body terms expectation values
nlat [integer] – number of inequivalent impurity sites for real-space DMFT

interface ed_io/ed_get_dust(self, nlat)

This subroutine gets from the EDIpack2 library and passes to the user the value of ed_dust = \(\sum_{i < j} n_{i\uparrow}n_{j\downarrow} + n_{i\downarrow}n_{j\uparrow}\) for \(i,j\) orbitals The returned array can have the following dimensions:

scalar: for single-site DMFT

[nlat]: for real-space DMFT with nlat impurities

Parameters:

self (various shapes) [real] – value of dust
nlat [integer] – number of inequivalent impurity sites for real-space DMFT

interface ed_io/ed_get_dund(self, nlat)

This subroutine gets from the EDIpack2 library and passes to the user the value of ed_dund = \(\sum_{i < j} n_{i\uparrow}n_{j\uparrow} + n_{i\downarrow}n_{j\downarrow}\) for \(i,j\) orbitals The returned array can have the following dimensions:

scalar: for single-site DMFT

[nlat]: for real-space DMFT with nlat impurities

Parameters:

self (various shapes) [real] – value of dund
nlat [integer] – number of inequivalent impurity sites for real-space DMFT

interface ed_io/ed_get_dse(self, nlat)

This subroutine gets from the EDIpack2 library and passes to the user the value of ed_dse = \(\sum_{i < j} c^{\dagger}_{i\uparrow}c^{\dagger}_{j\uparrow}c_{i\downarrow}c_{j\uparrow}\) for \(i,j\) orbitals The returned array can have the following dimensions:

scalar: for single-site DMFT

[nlat]: for real-space DMFT with nlat impurities

Parameters:

self (various shapes) [real] – value of dse
nlat [integer] – number of inequivalent impurity sites for real-space DMFT

interface ed_io/ed_get_dph(self, nlat)

This subroutine gets from the EDIpack2 library and passes to the user the value of ed_dph = \(\sum_{i < j} c^{\dagger}_{i\uparrow}c^{\dagger}_{i\downarrow}c_{j\downarrow}c_{j\uparrow}\) for \(i,j\) orbitals The returned array can have the following dimensions:

scalar: for single-site DMFT

[nlat]: for real-space DMFT with nlat impurities

Parameters:

self (various shapes) [real] – value of dph
nlat [integer] – number of inequivalent impurity sites for real-space DMFT

interface ed_io/ed_get_density_matrix(dm_)

This subroutine returns to the user the impurity density matrix. The density matrix is an array having the following possible dimensions:

[nspin \(\cdot\) norb, nspin\(\cdot\)norb] for single-impurity DMFT

[nlat, nspin \(\cdot\) norb, nspin\(\cdot\)norb] for real-space DMFT

Parameters:: dm_ (various shapes) [complex, out,allocatable]

interface ed_io/ed_read_impsigma(nineq)

This subroutine reads the impurity Sigmas from files in the execution folder and stores them in the global variables

impsmats normal self-energy, Matsubara axis

impsreal normal self-energy, real frequency axis

impsamats anomalous self-energy, Matsubara axis

impsareal anomalous self-energy, real frequency axis

smats_ineq normal self-energy, Matsubara axis, real-space DMFT

sreal_ineq normal self-energy, real frequency axis, real-space DMFT

samats_ineq anomalous self-energy, Matsubara axis, real-space DMFT

sareal_ineq anomalous self-energy, real frequency axis, real-space DMFT

The files have to be formatted to be compatible with the EDIpack2 library, that is \([\omega,\mathrm{Im}\Sigma,\mathrm{Re}\Sigma]\) . One file per self-energy component, with the name

"impSigma_l"//str(iorb)[str(jorb)]//_s"//str(ispin)[str(jspin)]"_iw"//reg(ed_file_suffix)//".ed" normal self-energy, Matsubara axis

"impSigma_l"//str(iorb)[str(jorb)]//_s"//str(ispin)[str(jspin)]"_realw"//reg(ed_file_suffix)//".ed" normal self-energy, real frequency axis

"impSelf_l"//str(iorb)[str(jorb)]//_s"//str(ispin)"_iw"//reg(ed_file_suffix)//".ed" anomalous self-energy, Matsubara axis

"impSelf_l"//str(iorb)[str(jorb)]//_s"//str(ispin)"_realw"//reg(ed_file_suffix)//".ed" anomalous self-energy, real frequency axis

The variable ed_file_suffix is "_ineq_Nineq" padded with 4 zeros in the case of inequivalent sites, as per documentation.

Parameters:: nineq [integer] – number of inequivalent impurity sites for real-space DMFT

subroutine ed_io/ed_print_impsigma()

This subroutine print the impurity self-energy on plain text files in the execution folder. The files are formatted like \([\omega,\mathrm{Im}\Sigma,\mathrm{Re}\Sigma]\) . One file per self-energy component, with the name

"impSigma_l"//str(iorb)[str(jorb)]//_s"//str(ispin)[str(jspin)]"_iw"//reg(ed_file_suffix)//".ed" normal self-energy, Matsubara axis

"impSigma_l"//str(iorb)[str(jorb)]//_s"//str(ispin)[str(jspin)]"_realw"//reg(ed_file_suffix)//".ed" normal self-energy, real frequency axis

"impSelf_l"//str(iorb)[str(jorb)]//_s"//str(ispin)"_iw"//reg(ed_file_suffix)//".ed" anomalous self-energy, Matsubara axis

"impSelf_l"//str(iorb)[str(jorb)]//_s"//str(ispin)"_realw"//reg(ed_file_suffix)//".ed" anomalous self-energy, real frequency axis

The variable ed_file_suffix is "_ineq_Nineq" padded with 4 zeros in the case of inequivalent sites, as per documentation.

subroutine ed_io/ed_print_impg()

This subroutine print the impurity Green’s function on plain text files in the execution folder. The files are formatted like \([\omega,\mathrm{Im}G,\mathrm{Re}G]\) . One file per Green’sfunction component, with the name

"impG_l"//str(iorb)[str(jorb)]//_s"//str(ispin)[str(jspin)]"_iw"//reg(ed_file_suffix)//".ed" normal G, Matsubara axis

"impG_l"//str(iorb)[str(jorb)]//_s"//str(ispin)[str(jspin)]"_realw"//reg(ed_file_suffix)//".ed" normal G, real frequency axis

"impF_l"//str(iorb)[str(jorb)]//_s"//str(ispin)"_iw"//reg(ed_file_suffix)//".ed" anomalous G, Matsubara axis

"impF_l"//str(iorb)[str(jorb)]//_s"//str(ispin)"_realw"//reg(ed_file_suffix)//".ed" anomalous G, real frequency axis

The variable ed_file_suffix is "_ineq_Nineq" padded with 4 zeros in the case of inequivalent sites, as per documentation.

subroutine ed_io/ed_print_impg0()

This subroutine print the non-interacting impurity Green’s function on plain text files in the execution folder. The files are formatted like \([\omega,\mathrm{Im}G_{0},\mathrm{Re}G_{0}]\) . One file per Green’s function component, with the name

"impG0_l"//str(iorb)[str(jorb)]//_s"//str(ispin)[str(jspin)]"_iw"//reg(ed_file_suffix)//".ed" normal G, Matsubara axis

"impG0_l"//str(iorb)[str(jorb)]//_s"//str(ispin)[str(jspin)]"_realw"//reg(ed_file_suffix)//".ed" normal G, real frequency axis

"impF0_l"//str(iorb)[str(jorb)]//_s"//str(ispin)"_iw"//reg(ed_file_suffix)//".ed" anomalous G, Matsubara axis

"impF0_l"//str(iorb)[str(jorb)]//_s"//str(ispin)"_realw"//reg(ed_file_suffix)//".ed" anomalous G, real frequency axis

The variable ed_file_suffix is "_ineq_Nineq" padded with 4 zeros in the case of inequivalent sites, as per documentation.

subroutine ed_io/ed_print_impd()

This subroutine print the impurity phonon self-energy on the files

"impDph_iw.ed" matsubara axis
impDph_realw.ed" real frequency axis

subroutine ed_io/ed_print_impchi()

This subroutine prints the susceptibilities. The files are formatted like \([\omega,\mathrm{Im}\\chi,\mathrm{Re}\\chi]\) . Which susceptibilities are printed depends on the values of chispin_flag (spin), chidens_flag (charge), chipair_flag (pair), chiexct_flag (exciton). One file per component. The name of the files are

"[spin/dens/pair/exct]Chi_[singlet/tripletXY,tripletZ]_l"//str(iorb)[str(jorb)]//_s"//str(ispin)[str(jspin)]"_tau"//reg(ed_file_suffix)//".ed" imaginary time

"[spin/dens/pair/exct]Chi_[singlet/tripletXY,tripletZ]_l"//str(iorb)[str(jorb)]//_s"//str(ispin)[str(jspin)]"_iw"//reg(ed_file_suffix)//".ed" Matsubara axis

"[spin/dens/pair/exct]Chi_[singlet/tripletXY,tripletZ]_l"//str(iorb)[str(jorb)]//_s"//str(ispin)[str(jspin)]"_realw"//reg(ed_file_suffix)//".ed" real frequency axis axis

The variable ed_file_suffix is "_ineq_Nineq" padded with 4 zeros in the case of inequivalent sites, as per documentation.

subroutine ed_io/ed_print_impgmatrix([file])

This subroutine prints weights and poles of the impurity Green’s function by calling write_GFmatrix(). These are stored one a file named "file"//str(ed_file_suffix)//.restart" taking into account the value of the global variable ed_file_suffix , which is "_ineq_Nineq" padded with 4 zeros in the case of inequivalent sites, as per documentation

Options:: file [character(len=*)] – filename prefix (default gfmatrix)

subroutine ed_io/ed_read_impgmatrix([file])

Options:: file [character(len=*)]

subroutine ed_io/ed_get_quantum_soc_operators(): This subroutine gets and prints the values of the components \(\overrightarrow{L}\), \(\overrightarrow{S}\), \(\overrightarrow{J}\) in the chosen basis depending on jz_basis, and prints them on the files "L_imp_"//reg(str(ndx))//".dat" , "S_imp_"//reg(str(ndx))//".dat" and "J_imp_"//reg(str(ndx))//".dat" , where ndx is the inequivalent impurity site for real-space DMFT (if that is the case). The ordering of the results in the output files is described by comments in the files themselves

subroutine ed_io/ed_get_neigen_total(nlii, nlat)

In the case of inequivalent impurity sites, this function returns the number of eigenstates per impurity site in the ED spectrum.

Parameters:: nlii (nlat) [integer] – array containing the number of eigenstates per inequivalent impurity site
Options:: nlat [integer] – number of inequivalent impurity sites for real-space DMFT