CMD + K

pseudo_dojo

Community

Python framework for generating and validating pseudo potentials

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::pseudo_dojo

Usage Tracking

0.3
1 / 8 versions selected
Downloads (Last 6 months): 0

Description

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).

About

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

noarch