tdep-developers / tdepLinks
The Temperature Dependent Effective Potentials (TDEP) code
☆80Updated last week
Alternatives and similar repositories for tdep
Users that are interested in tdep are comparing it to the libraries listed below
Sorting:
- Dealing with slabs for first principles calculations of surfaces☆63Updated last year
- Band structure unfolding made easy!☆53Updated this week
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated 2 weeks ago
- Massively parallel vibrational mode calculator.☆23Updated 9 months ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆42Updated 5 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆61Updated 6 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 3 weeks ago
- Defect structure-searching employing chemically-guided bond distortions☆93Updated 3 weeks ago
- Visualize vibrational modes from VASP calculations☆41Updated 4 months ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated last month
- LAMMPS interface for phonon calculations using phonopy☆87Updated 9 months ago
- Site-Occupation Disorder☆42Updated last month
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆58Updated this week
- Tools for Phono(3)py power users.☆33Updated last year
- A machine learning workflow for calculating the electron-phonon coupling (EPC)☆29Updated this week
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆32Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- Band unfolding for phonons☆54Updated 7 months ago
- ☆84Updated 6 months ago
- Occupation matrix control modification VASP☆48Updated 5 years ago
- A command line tool written in Python/C++ for finding optimized SQS structures☆46Updated this week
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆29Updated 6 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆36Updated 3 months ago
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 7 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆42Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 2 years ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 2 months ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 4 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated last year