Pinned Repositories
ascii-phonons
Blender extensions for illustrations of phonons
auto_vasp
subsmit VASP jobs automatically
DynaPhoPy
Phonon anharmonicity analysis from molecular dynamics
empirical_thermal_conductivity
Estimate the thermal conductivity using empirical models
paper-note
pp4defect
PyDEF-2.0
PyDEF 2.0 is a scientific program. It is a post-treatment software for ab-initio calculations performed with the Vienna Ab-Initio Simulation Package (VASP) featuring a user-friendly Graphical User Interface (GUI).
pydefect
Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
pylada-defects
A computational framework to automate point defect calculations
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
yaohonghao's Repositories
yaohonghao/paper-note
yaohonghao/pp4defect
yaohonghao/auto_vasp
subsmit VASP jobs automatically
yaohonghao/DynaPhoPy
Phonon anharmonicity analysis from molecular dynamics
yaohonghao/pydefect
Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
yaohonghao/empirical_thermal_conductivity
Estimate the thermal conductivity using empirical models
yaohonghao/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
yaohonghao/spglib
C library for finding and handling crystal symmetries
yaohonghao/PyDEF-2.0
PyDEF 2.0 is a scientific program. It is a post-treatment software for ab-initio calculations performed with the Vienna Ab-Initio Simulation Package (VASP) featuring a user-friendly Graphical User Interface (GUI).
yaohonghao/ascii-phonons
Blender extensions for illustrations of phonons
yaohonghao/pylada-defects
A computational framework to automate point defect calculations