dalcorso / pslibrary
A library of ultrasoft and PAW pseudopotentials
☆74Updated 2 years ago
Related projects: ⓘ
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆69Updated 4 years ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆55Updated 3 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆70Updated last year
- ☆59Updated 3 weeks ago
- Blender extensions for illustrations of phonons☆60Updated 5 years ago
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆81Updated this week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆108Updated 3 weeks ago
- Modeling and Crystallographic Utilities☆43Updated last year
- Implementation for computing nonradiative recombination rates in semiconductors☆41Updated 4 months ago
- a python package for computing magnetic interaction parameters☆67Updated this week
- Phonon anharmonicity analysis from molecular dynamics☆112Updated last month
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆90Updated last month
- LAMMPS interface for phonon calculations using phonopy☆83Updated 3 weeks ago
- A Wannier90 python interface for VASP and PySCF☆33Updated 7 months ago
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆31Updated 2 years ago
- A high-performance framework for solving phonon and electron Boltzmann equations☆81Updated last week
- A plugin to AiiDA for running simulations with VASP☆45Updated this week
- Python interface for VASP☆73Updated 3 months ago
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Updated 2 years ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆38Updated 2 weeks ago
- ☆48Updated this week
- BerkeleyGW python☆27Updated 2 years ago
- Advanced tool for Wannier interpolation and integration of k-space integrals☆92Updated last month
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆103Updated last year
- Visualise lattice vibrations☆85Updated 11 months ago
- Fermi surface generation, analysis and visualisation.☆86Updated 2 weeks ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆98Updated 3 years ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆28Updated last year
- A toolbox for quickly build inputs and analyze results of DFT codes☆38Updated last year
- Ab initio simulator for thermal transport and lattice anharmonicity☆135Updated 2 weeks ago