Tutorials

This section provides step-by-step tutorials for running SHARP Pack. Each tutorial includes the required param.in input template, execution commands, and simple plotting instructions.

Note

• All simulations assume SHARP Pack is compiled (see Installation) and the executable is available as sharp.x.

• By default, the program reads input parameters from param.in in the working directory.

• Units: All input parameters are in atomic units, except temperature in Kelvin. Spin-boson model parameters are given in \(\text{cm}^{-1}\) when enu \(\neq\) 1.

List of tutorials:

• Tully Model-I (FSSH)

• Tully Model-II (RPSH)

• Tully Model-III (Branching Probability)

• Linear Chain Model

• Spin-Boson Model (Debye Spectral Density)

Note

All the example tutorials can be found in the example/ directory.

Note

Job submission bash scripts are located in the utility/ directory for the HPC Slurm system, as well as on the local machine.