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Reading binary files generated by CASTEP in Python

copied from cf-staging / castepxbin

Installers

  • noarch v0.3.0

conda install

To install this package run one of the following:
conda install conda-forge::castepxbin

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.


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