bjmorgan / lattice_mcLinks
Lattice gas Monte Carlo simulation code
☆35Updated 5 years ago
Alternatives and similar repositories for lattice_mc
Users that are interested in lattice_mc 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
- Multiple Scattering Theory code for first principles calculations☆74Updated last week
- New version of dft-book for Quantum Espresso☆46Updated 5 years ago
- Fermi surface generation, analysis and visualisation.☆97Updated last week
- Python tools for Quantum ESPRESSO☆36Updated last month
- A physics computational framework for python and ipython☆38Updated 4 months ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- NIST Interatomic Potential Repository property calculation tools☆24Updated 4 months ago
- Educational code for Density Functional Theory and Quantum Monte Carlo with Python☆20Updated 6 years ago
- Modeling and Crystallographic Utilities☆51Updated 2 years ago
- Scientific Python package for solving Slater Koster tight-binding topological hamiltonian☆56Updated 2 years ago
- Extended DeepH (xDeepH) method for magnetic materials.☆40Updated 2 years ago
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆16Updated last week
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆60Updated 3 years ago
- Course materials for NANO 106 - Crystallography of Materials☆36Updated 3 years ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆55Updated 2 weeks ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Updated last year
- a python package for computing magnetic interaction parameters☆88Updated 2 weeks ago
- ☆24Updated 11 months ago
- plane wave basis set density functional thoery code☆19Updated 6 months ago
- ☆30Updated 7 years ago
- Calculates self-consistent Fermi level given defect formation energies and the density of states.☆14Updated 5 years ago
- Julia codes to play with Phonons☆24Updated 7 years ago
- Real-time TDDFT for Quantum-Espresso☆24Updated 2 years ago
- WEST code☆27Updated 4 months ago
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆20Updated 3 weeks ago
- The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).☆34Updated last week
- Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)☆15Updated last week
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆18Updated last week
- D3Q + thermal2☆26Updated last month