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pypi.org "shakenbreak" keyword

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doped 2.4.2

Python package to setup, process and analyse solid-state defect calculations with VASP
35 versions - Latest release: 21 days ago - 1 dependent package - 1 dependent repositories - 2.56 thousand downloads last month - 62 stars on GitHub - 1 maintainer

Related Keywords

ab-initio 1 computational-chemistry 1 computational-materials-science 1 defect-calculation 1 defect-formation-energy 1 defect-levels 1 defect-thermodynamics 1 defects 1 dft 1 doping 1 fermi-level 1 point-defects 1 pymatgen 1 semiconductors 1 transition-levels 1 vasp 1