Welcome to PyNAO’s documentation

PyNAO the Python Numerical Atomic Orbitals.

PyNAO is designed to perform efficient many-body perturbation theory methods with numerical atomic orbitals. PyNAO aims to be easy to use. Actual implemented methods are

  • TDDFT (light and electronic perturbation, i.e., EELS)

  • G0W0

  • BSE

PyNAO must load ground state properties from previous DFT calculations. Supported DFT codes are

See the DFT page for more details on required inputs. The installation page gives the instructions for intalling the program, while the example page is probably the best to get easily started once the package is installed.

Try out PyNAO on myBinder


Known issues

See list of issues in the Gitlab repository

Indices and tables