pseudo_dojo
Python framework for generating and validating pseudo potentials
Python framework for generating and validating pseudo potentials
To install this package, run one of the following:
PseudoDojo is an open-source Python framework for generating and validating pseudopotentials. It uses the AbiPy package, for developing and systematically testing pseudopotentials. At present it contains seven different batteries of tests executed with ABINIT (delta-gauge, revised delta gauge by Jollet et al, GBRV tests for fcc/bcc/compounds, phonons at the Gamma point and tests for the presence of ghost-states below and above the Fermi level).
Summary
Python framework for generating and validating pseudo potentials
Last Updated
May 16, 2020 at 20:51
License
LGPL-2.1-or-later
Total Downloads
4.4K
Supported Platforms
GitHub Repository
https://github.com/abinit/pseudo_dojoDocumentation
https://github.com/abinit/pseudo_dojo