Pinned Repositories
MatHub
MIP
Please refer to https://github.com/yangjio4849/MatHub
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.
TransOpt
The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical conductivities, and electronic thermal conductivities) by using (1) the momentum matrix method (Method 1) or (2) derivative method same as adopted in BoltzTrap (Method 2).
TTEP
a code for efficient calculation of the thermal transport from constant electron-phonon coupling approximation
yangjio4849's Repositories
yangjio4849/TransOpt
The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical conductivities, and electronic thermal conductivities) by using (1) the momentum matrix method (Method 1) or (2) derivative method same as adopted in BoltzTrap (Method 2).
yangjio4849/MIP
Please refer to https://github.com/yangjio4849/MatHub
yangjio4849/TTEP
a code for efficient calculation of the thermal transport from constant electron-phonon coupling approximation
yangjio4849/MatHub
yangjio4849/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.