dalcorso / pslibraryLinks
A library of ultrasoft and PAW pseudopotentials
☆92Updated 3 years ago
Alternatives and similar repositories for pslibrary
Users that are interested in pslibrary are comparing it to the libraries listed below
Sorting:
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆90Updated 6 years ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆152Updated this week
- a python package for computing magnetic interaction parameters☆91Updated last week
- Visualise lattice vibrations☆107Updated 8 months ago
- Blender extensions for illustrations of phonons☆67Updated 6 years ago
- A Python library for electronic structure pre/post-processing☆201Updated last week
- Ab initio simulator for thermal transport and lattice anharmonicity☆185Updated last week
- BandUP: Band Unfolding code for Plane-wave based calculations☆107Updated 4 years ago
- ☆73Updated last week
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆104Updated last year
- Python interface for VASP☆89Updated this week
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆69Updated 3 months ago
- A high-performance framework for solving phonon and electron Boltzmann equations☆116Updated 3 months ago
- LAMMPS interface for phonon calculations using phonopy☆90Updated 2 months ago
- The Temperature Dependent Effective Potentials (TDEP) code☆97Updated last week
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆95Updated this week
- Analysis of quantum chemical interactions in molecules and solids.☆114Updated this week
- A plugin to AiiDA for running simulations with VASP☆60Updated last week
- Fermi surface generation, analysis and visualisation.☆98Updated last month
- Band unfolding for phonons☆58Updated last year
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆83Updated 8 months ago
- ab-initio nonadiabatic molecular dynamics program☆116Updated last year
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆59Updated 3 weeks ago
- ☆68Updated 2 years ago
- Occupation matrix control modification VASP☆53Updated 6 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Updated 2 years ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆124Updated 3 years ago
- Advanced tool for Wannier interpolation and integration of k-space integrals☆110Updated last week
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆181Updated last week
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆72Updated 8 months ago