jochym / qe-doc
Docs and examples for Quantum-Espresso
☆14Updated 7 years ago
Related projects ⓘ
Alternatives and complementary repositories for qe-doc
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆37Updated 6 months ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆29Updated this week
- Interfacial Phonon code☆25Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆30Updated 7 months ago
- Blender extensions for illustrations of phonons☆60Updated 5 years ago
- Occupation matrix control modification VASP☆42Updated 5 years ago
- Gaussian and Lorentzian smearing of simulated spectra☆35Updated last month
- generator of simple atomistic models☆24Updated 6 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆41Updated last month
- Automatic search for the most stable magnetic state of a given structure☆20Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆30Updated 2 years ago
- Tools for Phono(3)py power users.☆30Updated last year
- A collection of examples for running different types of VASP calculations.☆28Updated 8 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 4 years ago
- DensityTool post-processing program for VASP☆28Updated 11 months ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆19Updated 4 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆39Updated last year
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆46Updated 3 months ago
- A module for ASE for elastic constants calculation.☆35Updated 3 months ago
- quick analysis of vasp calculation☆35Updated 5 months ago
- ☆29Updated 4 months ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆16Updated 4 years ago
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆22Updated 6 years ago
- ☆36Updated 5 years ago
- DFT post processing tools☆23Updated 4 months ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆25Updated 9 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆26Updated 3 years ago
- A Python suite for manipulating VASP input and output☆44Updated 5 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆55Updated this week
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago