☆23Apr 16, 2020Updated 5 years ago
Alternatives and similar repositories for vasp_examples
Users that are interested in vasp_examples are comparing it to the libraries listed below
Sorting:
- DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论，…☆66Aug 27, 2021Updated 4 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 6 years ago
- A open source program for materials simulation data process, which is mainly based on Pymatgen code☆23Oct 9, 2019Updated 6 years ago
- ☆19May 30, 2019Updated 6 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Feb 21, 2019Updated 7 years ago
- ☆23Nov 10, 2020Updated 5 years ago
- Structure Prototype Analysis Package can analyze symmetry and compare similarity of a large number of atomic structures.☆23Sep 9, 2022Updated 3 years ago
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 2 years ago
- Useful tools integrated for VASP/Wannier90 interface☆12Aug 31, 2022Updated 3 years ago
- 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）☆13Aug 23, 2021Updated 4 years ago
- Python Processing Tool for Vasp Ipnut/Output☆13Jul 6, 2023Updated 2 years ago
- Files from the 2021 Soft Electronic Materials MRes Computational Workshop on Material Structure and Dynamics☆14Nov 3, 2021Updated 4 years ago
- Tools to be used with the Atomic Simulation Environment (ASE). Currently, the main features are for VASP.☆13Nov 6, 2012Updated 13 years ago
- ☆31Jul 26, 2020Updated 5 years ago
- VASPKIT_manual markdown source!☆82May 29, 2019Updated 6 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Dec 28, 2022Updated 3 years ago
- 科研日志模板☆15May 8, 2025Updated 9 months ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- End-to-end code for predicting Curie temp. and other magnetic properties of 2D materials.☆14Aug 31, 2022Updated 3 years ago
- Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…☆16Dec 24, 2025Updated 2 months ago
- A Vim/Neovim syntax plugin for VASP's input files☆13Apr 23, 2025Updated 10 months ago
- A poor man's density functional theory program☆14Feb 1, 2026Updated last month
- Online resource for introduction to crystallography at Imperial College London (MATE40004)☆14Nov 8, 2022Updated 3 years ago
- Tutorials for DeepModeling projects.☆16Apr 3, 2025Updated 10 months ago
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆19Aug 2, 2023Updated 2 years ago
- A lite tool for monitoring convergence in VASP relaxation☆17Jul 4, 2024Updated last year
- quick analysis of vasp calculation☆38Jun 7, 2024Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆35Apr 19, 2024Updated last year
- ☆18Jan 27, 2020Updated 6 years ago
- Toolkit for visualizing phase stability and defects diagrams from DFT calculations of multicomponent materials.☆19Feb 20, 2024Updated 2 years ago
- ☆16Feb 27, 2020Updated 6 years ago
- A software package for calculating the electronic structure and topological properties of the tight-binding (TB) model.☆25Mar 15, 2024Updated last year
- Generate atomic structures for common defects in materials☆19Apr 22, 2024Updated last year
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆90Apr 3, 2025Updated 10 months ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- Generating geometries for electronic structure calculations from CIF files.☆48Nov 6, 2024Updated last year
- Store my own notebook☆21May 30, 2022Updated 3 years ago
- Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.☆46May 16, 2018Updated 7 years ago
- ☆232Jul 31, 2020Updated 5 years ago