castepxbin
Reading binary files generated by CASTEP in Python
Reading binary files generated by CASTEP in Python
To install this package, run one of the following:
A collection of readers for CASTEP binary output from CASTEP. At the moment, there is only a reader for pdos_dos file available. This file contains the weights of the eigenvalues on each projected orbitals, which can be used to constructed projected density of states.
Summary
Reading binary files generated by CASTEP in Python
Last Updated
Oct 15, 2025 at 01:49
License
MIT
Total Downloads
12.1K
Supported Platforms
GitHub Repository
https://github.com/zhubonan/castepxbinDocumentation
https://github.com/zhubonan/castepxbin