aoterodelaroza / gibbs2
Thermodynamics of solids in the quasiharmonic approximation.
☆34Updated last month
Related projects ⓘ
Alternatives and complementary repositories for gibbs2
- A module for ASE for elastic constants calculation.☆35Updated 3 months ago
- generator of simple atomistic models☆24Updated 6 years ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆43Updated last week
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆37Updated 6 months ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆25Updated 9 years ago
- AICON2: A program for calculating transport properties quickly and accurately☆14Updated last year
- quick analysis of vasp calculation☆35Updated 5 months ago
- Band unfolding for phonons☆50Updated 3 weeks ago
- Tools for Phono(3)py power users.☆30Updated last year
- A computational framework to automate point defect calculations☆35Updated 6 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆41Updated last month
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆49Updated 2 weeks ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆48Updated 7 months ago
- GUI4dft - first free SIESTA oriented GUI☆23Updated this week
- Ab initio tight binding simuation package☆20Updated 11 months ago
- A Python suite for manipulating VASP input and output☆44Updated 5 months ago
- python workflow for GW-BSE calculation☆25Updated last year
- A grain boundary generation code☆56Updated last year
- A command line tool written in Python/C++ for finding optimized SQS structures☆41Updated this week
- Blender extensions for illustrations of phonons☆60Updated 5 years ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆28Updated last year
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆55Updated last year
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 4 years ago
- some toolkits for VASP☆27Updated 3 years ago
- Site-Occupation Disorder☆37Updated last year
- TDEP Tutorials☆20Updated last year
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆29Updated this week
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆16Updated 4 years ago
- Interfacial Phonon code☆25Updated 2 years ago
- Band structure unfolding made easy!☆43Updated this week