Documentation
Examples
Model templates
Miscelaneous
C++ reference manual
Python reference manual
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class
nrgljubljana_interface.
Flat
(half_bandwidth)[source] The Hilbert transform of a flat density of states, with cut-off
\[g(z) = \int \frac{A(\omega)}{z-\omega} d\omega\]where \(A(\omega) = \theta( D^2 - \omega^2)/(2D)\).
(Only works in combination with frequency Green’s functions.)
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class
nrgljubljana_interface.
SemiCircular
(half_bandwidth, chem_potential=0.0)[source] Hilbert transform of a semicircular density of states, i.e.
\[g(z) = \int \frac{A(\omega)}{z-\omega} d\omega\]where \(A(\omega) = \theta( D - |\omega|) 2 \sqrt{ D^2 - \omega^2}/(\pi D^2)\).
(Only works in combination with frequency Green’s functions.)
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class
nrgljubljana_interface.
SolverCore
The Solver class
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A_w
The spectral function
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B_w
The spectral function of the auxiliary correlator F_w
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Delta_w
The hybridization function in real frequencies
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F_w
The auxiliary Green function F_w = Sigma_w * G_w
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G_w
The retarded Greens function
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Sigma_w
The retarded Self energy
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check_model_params
() Signature : (nrgljubljana_interface::solve_params_t sp) -> None
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chi_NN_w
Charge susceptibility
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chi_SS_w
Spin susceptibility
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chi_struct
The susceptibility structure object
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expv
Expectation values of local impurity operators
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generate_param_file
() Signature : (float z) -> None
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gf_struct
The Green function structure object
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static
hdf5_format
() Signature : () -> str
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instantiate
() Signature : (float z, str taskdir) -> None
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log_mesh
Logarithmic mesh
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nrg_params
Low-level NRG parameters
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readA
() Signature : (str name, std::optional<g_w_t> A_w, triqs::hilbert_space::gf_struct_t _gf_struct) -> None Read a block spectral function name-block-ij.dat; here we assume that the
spectral function is purely real.
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readGF
() Signature : (str name, std::optional<g_w_t> G_w, triqs::hilbert_space::gf_struct_t _gf_struct) -> None Read a block Green’s function (im/re)name-block-ij.dat
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read_structure
() Signature : (str filename, bool mandatory) -> triqs::hilbert_space::gf_struct_t
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readexpv
() Signature : (int Nz) -> None Read expectation values
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set_nrg_params
() Parameter Name Type Default Documentation dmnrg bool false Perform DMNRG (density-matrix NRG) calculation cfs bool false Perform CFS (complete Fock space) calculation fdm bool true Perform FDM (full-density-matrix) calculation fdmexpv bool true Calculate expectation values using FDM algorithm dmnrgmats bool false DMNRG calculation on Matsubara axis fdmmats bool false FDM calculation on Matsubara axis mats size_t 100 Number of Matsubara points to collect specgt std::string “” Conductance curves to compute speci1t std::string “” I_1 curves to compute speci2t std::string “” I_2 curves to compute v3mm bool false Compute 3-leg vertex on matsubara/matsubara axis? mMAX int -1 Number of sites in the star representation Nmax int -1 Number of sites in the Wilson chain xmax double -1.0 Largest x in the discretization ODE solver discretization std::string “Z” Discretization scheme z double 1.0 Parameter z in the logarithmic discretization tri std::string “old” Tridiagonalisation approach preccpp size_t 2000 Precision for tridiagonalisation diag std::string “default” Eigensolver routine (dsyev|dsyevr|zheev|zheevr|default) diagratio double 1.0 Ratio of eigenstates computed in partial diagonalisation dsyevrlimit size_t 100 Minimal matrix size for dsyevr zheevrlimit size_t 100 Minimal matrix size for zheevr restart bool true Restart calculation to achieve truncation goal? restartfactor double 2.0 Rescale factor for restart=true safeguard double 1e-5 Additional states to keep in case of a near degeneracy safeguardmax size_t 200 Maximal number of additional states fixeps double 1e-15 Threshold value for eigenvalue splitting corrections betabar double 1.0 Parameter bar{beta} for thermodynamics gtp double 0.7 Parameter p for G(T) calculations chitp double 1.0 Parameter p for chi(T) calculations finite bool false Perform Costi-Hewson-Zlatic finite-T calculation cfsgt bool false CFS greater correlation function cfsls bool false CFS lesser correlation function fdmgt bool false FDM greater correlation function? fdmls bool false FDM lesser correlation function? fdmexpvn size_t 0 Iteration where we evaluate the expectation values finitemats bool false T>0 calculation on Matsubara axis dm bool false Compute density matrixes? broaden_min_ratio double 3.0 Auto-tune broaden_min parameter omega0 double -1.0 Smallest energy scale in the problem omega0_ratio double 1.0 omega0 = omega0_ratio x T diagth int 1 Number of diagonalisation threads substeps bool false Interleaved diagonalization scheme strategy std::string “kept” Recalculation strategy Ninit size_t 0 Initial Wilson chain ops reim bool false Output imaginary parts of correlators? dumpannotated size_t 0 Number of eigenvalues to dump dumpabs bool false Dump in terms of absolute energies dumpscaled bool true Dump using omega_N energy units dumpprecision size_t 8 Dump with # digits of precision dumpgroups bool true Dump by grouping degenerate states grouptol double 1e-6 Energy tolerance for considering two states as degenerate dumpdiagonal size_t 0 Dump diagonal matrix elements savebins bool true Save binned (unbroadened) data broaden bool false Enable broadening of spectra emin double -1.0 Lower binning limit emax double -1.0 Upper binning limit bins size_t 1000 bins/decade for spectral data accumulation double 0.0 Shift of the accumulation points for binning linstep double 0 Bin width for linear mesh discard_trim double 1e-16 Peak clipping at the end of the run discard_immediately double 1e-16 Peak clipping on the fly goodE double 2.0 Energy window parameter for patching NN1 bool false Do N/N+1 patching? NN2even bool true Use even iterations in N/N+2 patching NN2avg bool false Average over even and odd N/N+2 spectra NNtanh double 0.0 a in tanh[a(x-0.5)] window function width_td size_t 16 Width of columns in ‘td’ output file width_custom size_t 16 Width of columns in ‘custom’ output file prec_td size_t 10 Precision of columns in ‘td’ output file prec_custom size_t 10 Precision of columns in ‘custom’ output file prec_xy size_t 10 Precision of spectral function output resume bool false Attempt restart? log std::string “” List of tokens to define what to log logall bool false Log everything done bool true Create DONE file? calc0 bool true Perform calculations at 0-th iteration? lastall bool false Keep all states in the last iteratio for DMNRG lastalloverride bool false Override automatic lastall setting dumpsubspaces bool false Save detailed subspace info dump_f bool false Dump <f> matrix elements dumpenergies bool false Dump (all) energies to file? logenumber size_t 10 # of eigenvalues to show for log=e stopafter std::string “” Stop calculation at some point? forcestop int -1 Stop iteration? removefiles bool true Remove temporary data files? noimag bool true Do not output imaginary parts of expvs checksumrules bool false Check operator sumrules checkdiag bool false Test diag results checkrho bool false Test tr(rho)=1
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set_verbosity
() Signature : (bool v) -> None
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solve
() Solve method that performs NRGLJUBLJANA_INTERFACE calculation
Parameter Name Type Default Documentation Lambda double 2.0 Logarithmic discretization parameter Nz int 1 Number of discretization meshes Tmin double 1e-4 Lowest scale on the Wilson chain keep size_t 100 Maximum number of states to keep at each step keepenergy double -1.0 Cut-off energy for truncation keepmin size_t 0 Minimum number of states to keep at each step T double 0.001 Temperature, k_B T/D, alpha double 0.3 Width of logarithmic gaussian gamma double 0.2 Parameter for Gaussian convolution step method std::string “fdm” Method for calculating the dynamical quantities bandrescale double -1.0 Band rescaling factor (half-width of the support of the hybridisation function) model_parameters std::map<std::string, double> – Model parameters
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solve_one
() Signature : (str taskdir) -> None
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tdfdm
Thermodynamic variables (FDM algorithm)
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