Outputs and interpretation

Where results are written

Interface / workflow	Location
CLI	<input-stem>_output/ under the current working directory.
Main GUI workers	<project-name>_output/ beneath the GUI examples directory.
GUI Solar Study	Separate dark, illuminated and temperature output directories under the working directory.

Saving a GUI JSON to another directory does not relocate all calculation outputs. Check Console and aestimo.log for the selected workflow. Reusing a filename stem can reuse its output directory.

Schrödinger–Poisson files

The standard exporter writes whitespace-separated numerical columns:

File	Columns / meaning
aestimo.log	Calculation messages, iterations and diagnostics.
potn_eh_equi_cond.dat	Position (m), conduction-band profile (eV), valence-band profile (eV).
np_data0_equi_cond.dat	Position (m), electron density (cm⁻³), hole density (cm⁻³).
efield_eh_equi_cond.dat	Position and the two exported electric-field arrays.
sigma_eh_equi_cond.dat	Position and the exported charge-profile array.
states_e_QWR*_equi_cond.dat	State index, energy (meV), subband population (m⁻²), effective-mass ratio m*/m_e.
states_h_QWR*_equi_cond.dat	State index, energy (meV), subband population (m⁻²), effective-mass ratio m*/m_e.
wavefunctions_e_QWR*_equi_cond.dat	Position and electron wavefunction amplitudes for the region’s states.
wavefunctions_h_QWR*_equi_cond.dat	Position and hole wavefunction amplitudes for the region’s states.

QWR identifies a quantum region. The wavefunction exports contain amplitudes, not precomputed psi². Normalization and grid spacing matter when deriving a probability density from those amplitudes.

Band bending describes the spatial energy profile; confined-state energies and carrier populations answer different questions. Keep their units and reference energy distinct when comparing a band plot with a state table.

Transport and device workflows

Drift–diffusion routes produce av_curr.dat and bias-specific files, such as potn_eh_0.40.dat, np_data0_0.40.dat, and states_e_QWR1_0.40.dat. The state columns use the same energy, population and relative-mass conventions as the equilibrium state files.

av_curr.dat pairs bias with the route’s average-current values. Conversion between current density and total device current requires the device area and the route’s unit convention; do not apply an area factor twice or infer units solely from an axis label.

QW/LED/laser characterization can also write traceability_record.json and validation_report.md. These record the workflow’s comparison information; their presence alone is not proof of experimental validation. Some figures are held in the GUI until saved through the plot toolbar.

Which files should be present?

Availability depends on the solver, the quantum regions and config.py flags including potential_out, states_out, probability_out, sigma_out, electricfield_out and Drift_Diffusion_out. There is no universal fixed number of output files. A failed transport sweep can intentionally stop before export.

For a reproducible record, retain the input, material database changes, Aestimo version or commit, solver/grid controls, relevant logs and numerical outputs together with the exported figures.