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
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¶
- Runing DFT calculations
- Runing TDDFT calculations
- GW Approximation and its implementation in PyNAO
- Runing BSE calculations