SSlakeLabTiangong / 2019_workshopLinks
☆14Updated 5 years ago
Alternatives and similar repositories for 2019_workshop
Users that are interested in 2019_workshop are comparing it to the libraries listed below
Sorting:
- quick analysis of vasp calculation☆36Updated last year
- ☆11Updated 5 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆30Updated 9 months ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆26Updated 5 years ago
- DFT post processing tools☆25Updated last year
- ☆39Updated last year
- VASP Convergence Testing (for Energy & Dielectric Constants)☆55Updated last year
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆27Updated 9 years ago
- Tools for Phono(3)py power users.☆34Updated last year
- A open source program for materials simulation data process, which is mainly based on Pymatgen code☆22Updated 5 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Export Eigenvectors from Phonopy format to VESTA☆46Updated 8 months ago
- ☆19Updated 6 years ago
- A code to compute the radial distribution function☆21Updated 6 years ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated last year
- some toolkits for VASP☆30Updated 4 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆33Updated last year
- python workflow for GW-BSE calculation☆29Updated 2 years ago
- ☆24Updated last week
- cif2cell compatible with Python 3+☆12Updated 2 years ago
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆39Updated 10 months ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 4 months ago
- Visualize vibrational modes from VASP calculations☆42Updated 7 months ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆16Updated 7 years ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆26Updated 3 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- 机器学习预测表面物种性质 Predict property on surface using machine learning with SOAP encode☆18Updated 6 years 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
- Calculate 3rd order elastic constant.☆13Updated 5 months ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆33Updated 2 years ago