aoterodelaroza / gibbs2Links
Thermodynamics of solids in the quasiharmonic approximation.
☆38Updated last month
Alternatives and similar repositories for gibbs2
Users that are interested in gibbs2 are comparing it to the libraries listed below
Sorting:
- A module for ASE for elastic constants calculation.☆47Updated 9 months ago
- AICON2: A program for calculating transport properties quickly and accurately☆15Updated 2 years ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Updated last year
- Effective mass calculation with DFT☆16Updated last year
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆33Updated 3 years ago
- generator of simple atomistic models☆28Updated 7 years ago
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆16Updated this week
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆38Updated 2 weeks ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- A real-space DFT code☆16Updated 4 years ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆55Updated last week
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆34Updated 2 years ago
- quick analysis of vasp calculation☆38Updated last year
- This is a GPU optimized version of ShengBTE.☆17Updated last year
- A software to calculate thermal conductivity quickly and accurately☆35Updated 5 years ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆71Updated 5 months ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Updated 2 years ago
- TDEP Tutorials☆32Updated 5 months ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆18Updated 3 months ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated last month
- Lecture materials for: Ab initio methods in solid state physics.☆22Updated 10 months ago
- ☆27Updated last year
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆59Updated 3 years ago
- Python tools for Quantum ESPRESSO☆35Updated 2 weeks ago
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆57Updated 2 months ago
- A Python library to calculate elastic properties of materials.☆59Updated 3 months ago
- Fermi surface generation, analysis and visualisation.☆97Updated last month
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆21Updated 6 months ago