yh-phys / vasp_toolsLinks
Some useful vasp scripts and tools
☆22Updated 6 years ago
Alternatives and similar repositories for vasp_tools
Users that are interested in vasp_tools are comparing it to the libraries listed below
Sorting:
- quick analysis of vasp calculation☆38Updated last year
- A Python suite for manipulating VASP input and output☆48Updated last month
- DFT post processing tools☆26Updated last year
- ☆19Updated 6 years ago
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated last year
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated 3 weeks ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆17Updated 3 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆26Updated 6 years ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆30Updated 3 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- VASP WAVECAR parser (Plotting pseudo wavefunction and get wavecar brief info)☆16Updated 3 years ago
- ☆27Updated 11 months ago
- A code for generating irreducible site-occupancy configurations☆51Updated last year
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆71Updated 3 weeks ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆20Updated last year
- Site-Occupation Disorder☆47Updated 8 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 6 months ago
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Visualize vibrational modes from VASP calculations☆44Updated 10 months ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆17Updated 7 years ago
- ☆36Updated 6 years ago
- Occupation matrix control modification VASP☆52Updated 6 years ago
- ☆45Updated 7 years ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago