• License: MIT
• Home: https://github.com/zhubonan/castepxbin
• Development: https://github.com/zhubonan/castepxbin
• Documentation: https://github.com/zhubonan/castepxbin
• 7626 total downloads
• Last upload: 29 days and 4 hours ago

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.