quantumVITAS / quantumVITASLinks
Quantum Visualization Interacting Toolkit for Ab-initio Simulations
☆74Updated 4 years ago
Alternatives and similar repositories for quantumVITAS
Users that are interested in quantumVITAS are comparing it to the libraries listed below
Sorting:
- Modeling and Crystallographic Utilities☆51Updated 2 years ago
- Analysis of quantum chemical interactions in molecules and solids.☆113Updated this week
- A Virtual Machine for computational materials science☆94Updated 2 months ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated 2 years ago
- a python package for computing magnetic interaction parameters☆88Updated last week
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 6 months ago
- Implementation for computing nonradiative recombination rates in semiconductors☆49Updated 2 weeks ago
- A collection of examples for running different types of VASP calculations.☆31Updated 9 years ago
- Open-source library for analyzing the results produced by ABINIT☆130Updated 3 weeks ago
- Effective Mass Calculator for Semiconductors☆110Updated 5 years ago
- JDFTx: software for joint density functional theory☆96Updated this week
- Electronic transport properties from first-principles calculations☆157Updated this week
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆38Updated 2 weeks ago
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆40Updated 5 years ago
- A high-performance framework for solving phonon and electron Boltzmann equations☆110Updated last month
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Updated 2 years ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆174Updated 2 weeks ago
- Blender extensions for illustrations of phonons☆66Updated 6 years ago
- ☆52Updated this week
- A Python library for electronic structure pre/post-processing☆193Updated this week
- This repository contains example codes for the book: Quantum ESPRESSO Course for Solid‑State Physics, Jenny Stanford Publishing, New York…☆71Updated last year
- Fermi surface generation, analysis and visualisation.☆98Updated 3 weeks ago
- Python package to analyse electron density & electrostatic potential grids☆88Updated last year
- ☆24Updated 11 months ago
- Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.☆46Updated 7 years ago
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆28Updated 5 years ago
- Tutorials for the sisl-TBtrans-TranSiesta suite☆44Updated this week
- Calculates self-consistent Fermi level given defect formation energies and the density of states.☆14Updated 5 years ago
- BURAI, a GUI system of Quantum ESPRESSO☆70Updated 4 years ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆59Updated last week