pypi.org "point-defects" keyword
Top 10.0% on pypi.org
47 versions - Latest release: almost 4 years ago - 2 dependent packages - 1 dependent repositories - 46.2 thousand downloads last month - 131 stars on GitHub - 2 maintainers
shakenbreak 24.1.7
Package to generate and analyse distorted defect structures, in order to identify ground-state an...47 versions - Latest release: almost 4 years ago - 2 dependent packages - 1 dependent repositories - 46.2 thousand downloads last month - 131 stars on GitHub - 2 maintainers
Top 9.9% on pypi.org
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
doped 3.2.1
Python package to setup, process and analyse solid-state defect calculations with VASP43 versions - Latest release: 9 months ago - 1 dependent package - 1 dependent repositories - 46.2 thousand downloads last month - 285 stars on GitHub - 1 maintainer
pydefect 0.10.1
Integrated environment for first-principles point-defect calculations49 versions - Latest release: 6 months ago - 3 dependent packages - 1 dependent repositories - 47.1 thousand downloads last month - 67 stars on GitHub - 1 maintainer
Related Keywords
vasp
3
python3
2
ab-initio
2
computational-chemistry
2
semiconductors
2
pymatgen
2
dft
2
defects
2
transition-levels
1
chemistry
1
structure-searching
1
distortions
1
symmetry-breaking
1
materials
1
materials-design
1
materials-informatics
1
science
1
shakenbreak
1
fermi-level
1
doping
1
defect-thermodynamics
1
defect-levels
1
defect-formation-energy
1
defect-calculation
1
computational-materials-science
1
vasp-calculations
1