dalcorso / pslibrary
A library of ultrasoft and PAW pseudopotentials
☆75Updated 2 years ago
Alternatives and similar repositories for pslibrary:
Users that are interested in pslibrary are comparing it to the libraries listed below
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆78Updated 5 years ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆53Updated last week
- Blender extensions for illustrations of phonons☆62Updated 6 years ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆59Updated 4 months ago
- LAMMPS interface for phonon calculations using phonopy☆85Updated 6 months 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
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆78Updated last year
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆100Updated 7 months ago
- Band unfolding for phonons☆54Updated 4 months ago
- The Temperature Dependent Effective Potentials (TDEP) code☆73Updated this week
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆32Updated last month
- Phonon anharmonicity analysis from molecular dynamics☆122Updated 4 months ago
- Convert a POSCAR-format-like file to a XSF file (visualized by XCrySDen)☆18Updated 2 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆43Updated 5 months ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆30Updated last year
- A toolbox for quickly build inputs and analyze results of DFT codes☆42Updated last year
- BerkeleyGW python☆31Updated 3 years ago
- Occupation matrix control modification VASP☆45Updated 5 years ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆99Updated 3 years ago
- ☆65Updated last week
- ab-initio nonadiabatic molecular dynamics program☆102Updated 10 months ago
- Visualise lattice vibrations☆92Updated last month
- 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 high-performance framework for solving phonon and electron Boltzmann equations☆96Updated last week
- ASE density-functional tight-binding calculator☆63Updated last month
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆36Updated 5 months ago
- A Wannier90 python interface for VASP and PySCF☆36Updated last year
- A collection of examples for running different types of VASP calculations.☆30Updated 8 years ago
- quick analysis of vasp calculation☆35Updated 9 months ago
- Massively parallel vibrational mode calculator.☆23Updated 7 months ago