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pypi.org "defect-formation-energy" keyword

Top 9.9% on pypi.org
doped 3.2.1
Python package to setup, process and analyse solid-state defect calculations with VASP
43 versions - Latest release: 9 months ago - 1 dependent package - 1 dependent repositories - 46.2 thousand downloads last month - 285 stars on GitHub - 1 maintainer
pyvaspflow 0.0.3
Vasp Calculation
1 version - Latest release: over 6 years ago - 1 dependent repositories - 12 downloads last month - 22 stars on GitHub - 1 maintainer
Related Keywords
vasp 2 transition-levels 1 shakenbreak 1 semiconductors 1 pymatgen 1 point-defects 1 fermi-level 1 doping 1 dft 1 defects 1 defect-thermodynamics 1 defect-levels 1 defect-calculation 1 computational-materials-science 1 computational-chemistry 1 ab-initio 1 data-processing 1