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Python framework for generating and validating pseudo potentials

Installers

  • noarch v0.3

conda install

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

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).


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