pranabdas / espressoLinks
Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.
☆173Updated last month
Alternatives and similar repositories for espresso
Users that are interested in espresso are comparing it to the libraries listed below
Sorting:
- ☆232Updated 5 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆90Updated 6 years ago
- A Python library for electronic structure pre/post-processing☆201Updated last week
- Visualise lattice vibrations☆107Updated 8 months ago
- ☆69Updated 2 years ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆107Updated 4 years ago
- Electronic transport properties from first-principles calculations☆158Updated last week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆153Updated last week
- ☆73Updated last week
- Effective Mass Calculator for Semiconductors☆110Updated 5 years ago
- Advanced tool for Wannier interpolation and integration of k-space integrals☆112Updated last week
- 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
- a python package for computing magnetic interaction parameters☆91Updated this week
- A toolbox for quickly build inputs and analyze results of DFT codes☆45Updated 2 years ago
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆221Updated 3 weeks ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆186Updated this week
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆95Updated this week
- Blender extensions for illustrations of phonons☆68Updated 6 years ago
- An updated version of the VASP2WANNIER90v2 interface☆106Updated 2 years ago
- A library of ultrasoft and PAW pseudopotentials☆93Updated 3 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆83Updated 8 months ago
- band plot using python matplotlib☆179Updated last year
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆71Updated 3 months ago
- Phonon anharmonicity analysis from molecular dynamics☆136Updated 4 months ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆182Updated last week
- LAMMPS interface for phonon calculations using phonopy☆90Updated 3 months ago
- The Temperature Dependent Effective Potentials (TDEP) code☆97Updated last week
- This repository contains example codes for the book: Quantum ESPRESSO Course for Solid‑State Physics, Jenny Stanford Publishing, New York…☆78Updated last year
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆319Updated 8 months ago
- 1D density functional theory code in Python☆140Updated 2 years ago