SSlakeLabTiangong / 2020_webinarLinks
☆11Updated 5 years ago
Alternatives and similar repositories for 2020_webinar
Users that are interested in 2020_webinar are comparing it to the libraries listed below
Sorting:
- ☆14Updated 5 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 5 months ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- Calculate 3rd order elastic constant.☆13Updated 3 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- Interfacial Phonon code☆28Updated 2 years 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
- extract third order force constants from TDEP output☆9Updated 5 years ago
- ☆23Updated last year
- Magnetic critical temperature Calculator☆17Updated last year
- ☆19Updated 6 months ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆13Updated 3 years ago
- ☆24Updated 2 weeks ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆12Updated 6 years ago
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆28Updated 10 months ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 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
- Visualizations☆13Updated 3 years ago
- TDEP Tutorials☆30Updated last month
- 高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）☆12Updated 3 years ago
- Lecture materials for: Ab initio methods in solid state physics.☆21Updated 7 months ago
- A open source program for materials simulation data process, which is mainly based on Pymatgen code☆22Updated 5 years ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆17Updated 2 years ago
- Python Processing Tool for Vasp Ipnut/Output☆13Updated 2 years ago
- Tools for Phono(3)py power users.☆33Updated last year
- Utility for applying the distortion symmetry method.☆28Updated last year
- Automatic search for the most stable magnetic state of a given structure☆24Updated last year
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆20Updated 2 months ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆21Updated 3 years ago