Tutorials#
PAOFLOW tutorials are guided, workflows that teach both how to use PAOFLOW and the physics behind the calculations.
Each tutorial walks through a complete workflow end-to-end: from the required inputs, through each PAOFLOW step, to interpreting the results. Tutorials are written for researchers who are familiar with density functional theory but may be new to PAOFLOW.
Tutorial 01
Electronic structure: build a PAO Hamiltonian, interpolate band structure, and compute the density of states.
Tutorial 02
Transport properties: compute Boltzmann transport tensors and extend the workflow with relaxation-time models.