jochym / qe-docLinks
Docs and examples for Quantum-Espresso
☆16Updated 8 years ago
Alternatives and similar repositories for qe-doc
Users that are interested in qe-doc are comparing it to the libraries listed below
Sorting:
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆27Updated 9 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated 2 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆45Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆33Updated last year
- A Python suite for manipulating VASP input and output☆46Updated last week
- Occupation matrix control modification VASP☆49Updated 5 years ago
- Interfacial Phonon code☆28Updated 3 years ago
- quick analysis of vasp calculation☆36Updated last year
- A collection of examples for running different types of VASP calculations.☆31Updated 8 years ago
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆35Updated 3 years ago
- generator of simple atomistic models☆28Updated 6 years ago
- Band structure unfolding made easy!☆53Updated this week
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 9 months ago
- Band unfolding for phonons☆55Updated 9 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 3 months ago
- Blender extensions for illustrations of phonons☆66Updated 6 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated last year
- Modeling and Crystallographic Utilities☆50Updated 2 years ago
- Visualize vibrational modes from VASP calculations☆42Updated 6 months ago
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- A toolbox for quickly build inputs and analyze results of DFT codes☆43Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 2 years ago
- DensityTool post-processing program for VASP☆31Updated last year
- Export Eigenvectors from Phonopy format to VESTA☆46Updated 7 months ago
- A module for ASE for elastic constants calculation.☆46Updated 6 months ago
- TDEP Tutorials☆32Updated 2 months ago
- Tools for Phono(3)py power users.☆34Updated last year
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆37Updated this week
- ☆56Updated last year
- Script library mainly about chemical physics.☆24Updated last month