Ionizing / usefultools-for-vasp
A lite tool for monitoring convergence in VASP relaxation
☆15Updated 4 months ago
Related projects ⓘ
Alternatives and complementary repositories for usefultools-for-vasp
- ☆18Updated 5 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆30Updated 7 months ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆30Updated 2 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆26Updated 5 months ago
- Automatic search for the most stable magnetic state of a given structure☆20Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆51Updated 2 years ago
- Visualize vibrational modes from VASP calculations☆37Updated 2 years ago
- ☆20Updated 4 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆25Updated 5 years ago
- ☆46Updated 2 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆46Updated 3 months ago
- Export Eigenvectors from Phonopy format to VESTA☆35Updated last month
- Occupation matrix control modification VASP☆42Updated 5 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆48Updated 7 months ago
- ☆32Updated 7 months ago
- DFT post processing tools☆23Updated 4 months ago
- ☆37Updated 9 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆47Updated 3 weeks ago
- Concentric Approximation - Non-adiabatic Coupling☆21Updated last year
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆25Updated 9 years ago
- ☆36Updated 5 years ago
- VASP WAVECAR parser (Plotting pseudo wavefunction and get wavecar brief info)☆17Updated 2 years ago
- quick analysis of vasp calculation☆35Updated 5 months ago
- Some useful vasp scripts and tools☆22Updated 4 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆16Updated 4 years ago
- A grain boundary generation code☆56Updated last year
- A collection of scripts to interpret/organize VASP output files☆23Updated 8 years ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆62Updated 7 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- KPROJ: A Band Unfolding Program☆35Updated 4 months ago