PAOFLOW#
PAOFLOW
A python framework for constructing and operating on ab initio tight-binding Hamiltonians built from the projection of DFT wavefunctions onto atomic orbital (PAO) bases.
About
Project background, citations, and license.
Applications
Published research and gallery of results.
Quickstart
Run your first PAOFLOW calculation in minutes.
Installation
Get PAOFLOW installed in a few commands.
Tutorials
Guided workflows that teach the physics and methodology behind each calculation.
Internals
Developer guidelines and project internals.