richard-evans / vampire
Atomistic simulator for magnetic materials
☆132Updated last month
Alternatives and similar repositories for vampire:
Users that are interested in vampire are comparing it to the libraries listed below
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆87Updated this week
- A tool for creating and manipulating tight-binding models.☆37Updated 2 weeks ago
- This is the official GPL repository of the yambo code☆106Updated this week
- A simulation package of phonon-phonon interaction related properties☆131Updated this week
- Advanced tool for Wannier interpolation and integration of k-space integrals☆97Updated last week
- A high-performance framework for solving phonon and electron Boltzmann equations☆96Updated last week
- Official mirror of Quantum ESPRESSO☆48Updated 7 years ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆132Updated 2 months ago
- a python package for computing magnetic interaction parameters☆75Updated 2 weeks ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆78Updated 5 years ago
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆57Updated 3 years ago
- A Python library for electronic structure pre/post-processing☆178Updated this week
- BandUP: Band Unfolding code for Plane-wave based calculations☆99Updated 3 years ago
- Notes and tutorials on Density Functional Theory calculation using Quantum Espresso.☆126Updated last month
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆275Updated 2 months ago
- Finite DIfference microMAGnetic code, based on Python, Cython and C☆62Updated 3 months ago
- Official repository of the Wannier90 code☆253Updated this week
- JDFTx: software for joint density functional theory☆86Updated last month
- Scientific Python package for solving Slater Koster tight-binding topological hamiltonian☆50Updated last year
- Code to calculate the crystal field Hamiltonian of magnetic ions.☆57Updated 5 months ago
- Electronic transport properties from first-principles calculations☆141Updated 2 weeks ago
- ☆49Updated last year
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆112Updated 2 years ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆47Updated last week
- An updated version of the VASP2WANNIER90v2 interface☆91Updated last year
- Modeling and Crystallographic Utilities☆50Updated last year
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆203Updated this week
- A mathematica package for irreducible representations of space group☆55Updated 8 months ago
- A tool for calculating topological invariants.☆85Updated last month
- Real-time TDDFT for Quantum-Espresso☆24Updated last year