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castepxbin

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Reading binary files generated by CASTEP in Python

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::castepxbin

Usage Tracking

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Description

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.

About

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

noarch