4.7. Simulation Output

Overview

For each simulation run, a new output folder is created in the simulation output folder.

See Output for nextnanomat features to visualize output data.

The created output folder always contains:

• the input file and material database used

• a folder Input which contains the material parameters used

• a folder Init_Electron_Modes for the results of the initial Schrödinger equation

Optional output folders are controlled by the following input keywords:

• Strain for a folder Strain

• Piezoelectricity and Pyroelectricity for a folder Polarization

• Bias{ } and SweepParameters{ } for folders of individual voltage/temperature step

• Gain{ } for a folder Gain

• Output{ } for a folder (Bias)mV\2D_plots

Init_Electron_Modes folder

It contains the wavefunctions and related data in different basis. They are calculated in the first step of the calculation (see NEGF formalism). Electrostatic mean-field is not included (i.e. Poisson’s equation is not solved).

• the folder Init\EnergyEigenstatesFull0V contains the energy eigenstates of the Hamiltonian before Axial energy cut-off (output only if NumberOfBands is 8).

• Reduced real space basis is always output.

• the folder (Bias)mV\EnergyEigenstates is always output and contains the energy eigenstates of the Hamiltonian after Axial energy cut-off.

• Tight-binding basis is output if one or more AnalysisSeparator{ }) are defined.

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Last update: 04/11/2024