dalcorso / pslibraryLinks
A library of ultrasoft and PAW pseudopotentials
☆80Updated 2 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☆82Updated 5 years ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆61Updated 7 months ago
- Band unfolding for phonons☆54Updated 8 months ago
- Blender extensions for illustrations of phonons☆66Updated 6 years ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆53Updated this week
- LAMMPS interface for phonon calculations using phonopy☆87Updated 9 months ago
- Occupation matrix control modification VASP☆49Updated 5 years ago
- BerkeleyGW python☆31Updated 3 years ago
- The Temperature Dependent Effective Potentials (TDEP) code☆83Updated this week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆137Updated 2 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated last month
- Analysis of quantum chemical interactions in molecules and solids.☆109Updated 2 weeks ago
- ☆67Updated this week
- BandUP: Band Unfolding code for Plane-wave based calculations☆100Updated 4 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 8 months ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆115Updated 2 years ago
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆90Updated last month
- a python package for computing magnetic interaction parameters☆80Updated this week
- Phonon anharmonicity analysis from molecular dynamics☆128Updated 7 months ago
- A plugin to AiiDA for running simulations with VASP☆56Updated 2 weeks ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆43Updated last year
- ab-initio nonadiabatic molecular dynamics program☆106Updated last year
- Convert a POSCAR-format-like file to a XSF file (visualized by XCrySDen)☆18Updated 3 years ago
- ☆53Updated last year
- Visualise lattice vibrations☆93Updated 2 weeks ago
- An updated version of the VASP2WANNIER90v2 interface☆93Updated last year
- A high-performance framework for solving phonon and electron Boltzmann equations☆105Updated last week
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆37Updated 8 months ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆170Updated 2 weeks ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆51Updated this week