lingtikong / phana
☆27Updated 4 months ago
Related projects ⓘ
Alternatives and complementary repositories for phana
- Interatomic potential creating using DFT training data.☆28Updated 5 years ago
- LAMMPS interface for phonon calculations using phonopy☆84Updated 2 months ago
- generator of simple atomistic models☆24Updated 6 years ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆28Updated last year
- A toolbox for quickly build inputs and analyze results of DFT codes☆39Updated last year
- Band unfolding for phonons☆50Updated 3 weeks ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆49Updated 2 weeks ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆29Updated 7 months ago
- Site-Occupation Disorder☆37Updated last year
- Tutorials for the sisl-TBtrans-TranSiesta suite☆33Updated last week
- A Python suite for manipulating VASP input and output☆44Updated 5 months ago
- A module for ASE for elastic constants calculation.☆35Updated 3 months ago
- Massively parallel vibrational mode calculator.☆22Updated 3 months ago
- Implementation for computing nonradiative recombination rates in semiconductors☆41Updated last month
- Python modules for electron–phonon models☆29Updated last week
- quick analysis of vasp calculation☆35Updated 5 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆37Updated 6 months ago
- Tutorial material for hands-on sessions (work in progress)☆22Updated 3 years ago
- Tools for Phono(3)py power users.☆30Updated last year
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Updated 2 years ago
- Phonon anharmonicity analysis from molecular dynamics☆114Updated 2 weeks ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆25Updated 9 years ago
- Python interface for VASP☆78Updated last week
- potfit force-matching code☆34Updated 9 months ago
- Occupation matrix control modification VASP☆42Updated 5 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆55Updated last year
- GUI4dft - first free SIESTA oriented GUI☆23Updated this week
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆43Updated last week
- Fermi surface generation, analysis and visualisation.☆88Updated 2 weeks ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆55Updated 2 weeks ago