anharmonic / d3qLinks
D3Q + thermal2
☆26Updated last month
Alternatives and similar repositories for d3q
Users that are interested in d3q are comparing it to the libraries listed below
Sorting:
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- Julia codes to play with Phonons☆24Updated 7 years ago
- Python modules for electron–phonon models☆37Updated last month
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆18Updated 3 weeks ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- SPMS table of pseudopotentials☆21Updated 2 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆15Updated 2 months ago
- Lecture materials for: Ab initio methods in solid state physics.☆25Updated last year
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆61Updated 3 years ago
- The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).☆34Updated 3 weeks ago
- ☆29Updated last year
- WanTiBEXOS code repository☆15Updated 2 weeks ago
- Construct phonon tight-binding model and calculate its topological properties☆27Updated 6 years ago
- Tutorial for Wannier2022☆16Updated last month
- Visualizations☆14Updated 3 years ago
- Add on-site SOC to Wannier Hamiltonian.☆16Updated 4 years ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Updated 3 years ago
- A framework to treat strongly correlated materials using beyond-DFT methods☆25Updated 5 years ago
- Python tools for Quantum ESPRESSO☆36Updated 2 months ago
- A Fortran90 program for unfolding phonon dispersions☆11Updated 5 years ago
- A library of Python modules for reading/writing and manipulating data associated with the wannier90 code☆14Updated 4 years ago
- WEST code☆30Updated 4 months ago
- Exchange parameters of Heisenberg model calculation via Green's function approach☆34Updated last year
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆26Updated last week
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Updated 2 years ago
- Calculating electron-phonon couplings with DFTB.☆10Updated this week
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆33Updated 4 years ago
- A CUDA-implementation of linear-scaling quantum transport methods☆28Updated 2 years ago
- TDEP Tutorials☆34Updated 6 months ago