dftatom
Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations
Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations
To install this package, run one of the following:
This library implements accurate and efficient radial Schrödinger and Dirac shooting-method solvers. They work with any grid and any numerical potential. In addition, it also implements a radial Poisson solver and density functional theory self-consistency cycle.
Summary
Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations
Last Updated
Jul 17, 2019 at 13:13
License
MIT
Supported Platforms
Documentation
https://github.com/certik/dftatom/