4.3. Output files¶

This section explains the output files generated by \({\mathcal H}\Phi\).

4.3.1. Quick Reference¶

Check and Validation Files

File	Description
CHECK_Chemi.dat	Chemical potential terms
CHECK_InterAll.dat	General two-body interactions
CHECK_CoulombIntra.dat	On-site Coulomb interactions
CHECK_Hund.dat	Hund coupling terms
CHECK_INTER_Sr.dat	Inter-site interactions
CHECK_Memory.dat	Memory usage estimation
WarningOnTransfer.dat	Warnings about transfer integrals

Timing and Progress Files

File	Description
CalcTimer.dat	Detailed timing for each calculation step
TimeKeeper.dat	Overall calculation time log
sz_TimeKeeper.dat	Timing for Sz calculation
Time_CG_EigenVector.dat	CG eigenvector calculation timing

Lanczos Method Output

File	Description
zvo_energy.dat	Energy convergence during Lanczos iteration
zvo_Lanczos_Step.dat	Lanczos step information

TPQ (Finite Temperature) Output

File	Description
Time_TPQ_Step.dat	TPQ step timing
Norm_rand*.dat	Norm of TPQ states
SS_rand*.dat	Spin-spin correlation for TPQ
Flct_rand*.dat	Fluctuations for TPQ

Time Evolution Output

File	Description
Time_TE_Step.dat	Time evolution step timing
Norm.dat	Norm during time evolution
SS.dat	Spin-spin correlation during time evolution
Flct.dat	Fluctuations during time evolution

Physical Quantities

File	Description
zvo_Eigenvalue.dat	Eigenvalues
zvo_phys*.dat	Physical quantities (energy, doublon, Sz, etc.)
zvo_cisajs*.dat	One-body Green’s functions
zvo_cisajscktalt*.dat	Two-body Green’s functions

Wave Functions and Vectors

File	Description
zvo_Ham.dat	Hamiltonian matrix elements (small systems)
zvo_eigenvec*.dat	Eigenvector data
zvo_tmpvec*.dat	Temporary vector for restart
zvo_recalcvec*.dat	Recalculated vector
zvo_excited*.dat	Excited state vector

Dynamical Green’s Functions

File	Description
zvo_DynamicalGreen.dat	Dynamical Green’s function data
zvo_TMcomponents.dat	Tridiagonal matrix components
residual.dat	Residual for spectrum calculation

These files are generated to verify the input and check memory requirements.

These files track the calculation progress and timing.

Output files specific to Lanczos calculations.

Output files for thermal pure quantum (TPQ) state calculations.

Output files for time evolution calculations.

Files containing calculated physical quantities.

Files containing wave function and vector data.

Output files for dynamical Green’s function calculations.