yuzie007 / upho
Band unfolding for phonons
☆50Updated last month
Related projects ⓘ
Alternatives and complementary repositories for upho
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆30Updated 7 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆37Updated 6 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆72Updated last year
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆28Updated last year
- ☆25Updated 2 years ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆55Updated this week
- KPROJ: A Band Unfolding Program☆35Updated 4 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆48Updated 7 months ago
- Implementation for computing nonradiative recombination rates in semiconductors☆41Updated last month
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆46Updated 3 months ago
- Occupation matrix control modification VASP☆42Updated 5 years ago
- Unfolding the band structure of a supercell obtained with VASP☆24Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond …☆51Updated 2 years ago
- Tools for Phono(3)py power users.☆30Updated last year
- quick analysis of vasp calculation☆35Updated 5 months ago
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Updated 2 years ago
- Export Eigenvectors from Phonopy format to VESTA☆35Updated last month
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- DensityTool post-processing program for VASP☆28Updated 11 months ago
- ☆29Updated 4 months ago
- Band structure unfolding made easy!☆44Updated this week
- Interfacial Phonon code☆25Updated 2 years ago
- DFT post processing tools☆23Updated 4 months ago
- A collection of examples for running different types of VASP calculations.☆28Updated 8 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆23Updated 2 weeks ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆47Updated 3 weeks ago
- A Wannier90 python interface for VASP and PySCF☆34Updated 9 months ago
- A repository hosting materials used during Wannier-related tutorials and schools☆39Updated 5 months ago
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆31Updated last month
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆37Updated last week