anharmonic / d3q
D3Q + thermal2
☆25Updated last week
Alternatives and similar repositories for d3q:
Users that are interested in d3q are comparing it to the libraries listed below
- Julia codes to play with Phonons☆24Updated 6 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆20Updated 4 years ago
- TDEP Tutorials☆28Updated this week
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆14Updated 2 weeks ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆22Updated last year
- Python modules for electron–phonon models☆32Updated 3 weeks ago
- Lecture materials for: Ab initio methods in solid state physics.☆22Updated 4 months ago
- Interfacial Phonon code☆26Updated 2 years ago
- WanTiBEXOS code repository☆12Updated 6 months ago
- Construct phonon tight-binding model and calculate its topological properties☆26Updated 5 years ago
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆15Updated last week
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆33Updated 3 years ago
- ☆19Updated 4 months ago
- Tutorial for Wannier2022☆14Updated 4 months ago
- python workflow for GW-BSE calculation☆27Updated last year
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆26Updated 4 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆17Updated 4 years ago
- Tools for Phono(3)py power users.☆33Updated last year
- Suite of Python scripts for Perturbo testing and postprocessing☆10Updated last month
- AICON2: A program for calculating transport properties quickly and accurately☆15Updated last year
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 11 months ago
- Band structure unfolding made easy!☆50Updated this week
- A poor man's density functional theory program☆13Updated 5 months ago
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆18Updated 2 months ago
- Add on-site SOC to Wannier Hamiltonian.☆14Updated 4 years ago
- SPMS table of pseudopotentials☆19Updated 2 years ago
- Python version ofthe BandUP code☆22Updated 6 months ago
- Real-time TDDFT for Quantum-Espresso☆24Updated last year
- Effective mass calculation with DFT☆16Updated 6 months ago