dalcorso / pslibraryLinks
A library of ultrasoft and PAW pseudopotentials
☆83Updated 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
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆138Updated 4 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆66Updated 3 weeks ago
- Visualise lattice vibrations☆99Updated 2 months ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆102Updated last year
- Python interface for VASP☆85Updated this week
- a python package for computing magnetic interaction parameters☆82Updated this week
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆70Updated 3 months ago
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆92Updated this week
- ab-initio nonadiabatic molecular dynamics program☆110Updated last year
- A high-performance framework for solving phonon and electron Boltzmann equations☆106Updated this week
- BandUP: Band Unfolding code for Plane-wave based calculations☆100Updated 4 years ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆55Updated 2 weeks ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆173Updated 2 weeks ago
- ☆68Updated last month
- Blender extensions for illustrations of phonons☆66Updated 6 years ago
- Occupation matrix control modification VASP☆49Updated 5 years ago
- Fermi surface generation, analysis and visualisation.☆95Updated 3 weeks ago
- Generating geometries for electronic structure calculations from CIF files.☆44Updated 9 months ago
- Band unfolding for phonons☆56Updated 10 months ago
- A Python library for electronic structure pre/post-processing☆187Updated last week
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆33Updated 2 years ago
- Effective Mass Calculator for Semiconductors☆110Updated 4 years ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 11 months ago
- BerkeleyGW python☆31Updated 3 years ago
- A collection of examples for running different types of VASP calculations.☆31Updated 8 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆43Updated 2 years ago
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆58Updated 3 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 3 months ago
- Modeling and Crystallographic Utilities☆50Updated 2 years ago