tdep-developers / tdep
The Temperature Dependent Effective Potentials (TDEP) code
☆78Updated 2 weeks ago
Alternatives and similar repositories for tdep:
Users that are interested in tdep are comparing it to the libraries listed below
- Band structure unfolding made easy!☆50Updated this week
- Dealing with slabs for first principles calculations of surfaces☆62Updated last year
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆78Updated last year
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆41Updated 3 months ago
- Massively parallel vibrational mode calculator.☆23Updated 7 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆51Updated last month
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆59Updated 4 months ago
- Visualize vibrational modes from VASP calculations☆40Updated 2 months ago
- Defect structure-searching employing chemically-guided bond distortions☆90Updated 2 months ago
- LAMMPS interface for phonon calculations using phonopy☆85Updated 7 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆57Updated last month
- Convert a POSCAR-format-like file to a XSF file (visualized by XCrySDen)☆18Updated 2 years ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆32Updated this week
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆30Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated 11 months ago
- Occupation matrix control modification VASP☆45Updated 5 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆36Updated last month
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 11 months ago
- A command line tool written in Python/C++ for finding optimized SQS structures☆46Updated this week
- Site-Occupation Disorder☆42Updated last week
- Phonon anharmonicity analysis from molecular dynamics☆122Updated 5 months ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆38Updated last week
- ☆81Updated 4 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- Defect analysis modules for pymatgen☆47Updated this week
- ☆47Updated last year
- Tools for Phono(3)py power users.☆33Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- quick analysis of vasp calculation☆35Updated 10 months ago
- ☆50Updated 2 years ago