Overview¶

VASPKIT aims at providing a powerful and user-friendly interface to perform high throughput analysis of various material properties from the raw calculated data using the widely-used VASP code. The program can be conveniently run under either the interactive user interface or command line mode.

> vaspkit

           \\\///
          / _  _ \         Hey, you must know what you are doing.
        (| (o)(o) |)       Otherwise you might get wrong results.
o-----.OOOo--()--oOOO.------------------------------------------o
|         VASPKIT Standard Edition 1.5.0 (01 Jan. 2024)         |
|         Lead Developer: Vei WANG (wangvei@icloud.com)         |
|      Main Contributors: Gang TANG, Nan XU & Jin-Cheng LIU     |
|  Online Tutorials Available on Website: https://vaspkit.com   |
o-----.oooO-----------------------------------------------------o
       (   )   Oooo.                          VASPKIT Made Simple
        \ (    (   )
         \_)    ) /
               (_/
===================== Structural Utilities ======================
01) VASP Input-Files Generator    02) Mechanical Properties
03) K-Path for Band-Structure     04) Structure Editor
05) Catalysis-ElectroChem Kit     06) Symmetry Analysis
07) Materials Databases           08) Advanced Structure Models
===================== Electronic Utilities ======================
11) Density-of-States             21) Band-Structure
23) 3D Band-Structure             25) Hybrid-DFT Band-Structure
26) Fermi-Surface                 28) Band-Structure Unfolding
31) Charge-Density Analysis       42) Potential Analysis
44) Piezoelectric Properties      51) Wave-Function Analysis
62) Magnetic Analysis             65) Spin-Texture
68) Transport Properties
======================== Misc Utilities =========================
71) Optical Properties            72) Molecular-Dynamics Kit
74) User Interface                78) VASP2other Interface
84) ABACUS Interface              91) Semiconductor Kit
92) 2D-Material Kit               95) Phonon Analysis
0)  Quit
------------>>
0
o---------------------------------------------------------------o
|                       * ACKNOWLEDGMENTS *                     |
| Other Contributors (in no particular order): Peng-Fei LIU,    |
| Xue-Fei LIU, Dao-Xiong WU, Zhao-Fu ZHANG, Tian WANG, Qiang LI,|
| Ya-Chao LIU, Jiang-Shan ZHAO, Qi-Jing ZHENG, Yue QIU and You! |
| Advisors: Wen-Tong GENG, Yoshiyuki KAWAZOE                    |
:) Any Suggestions for Improvement are Welcome and Appreciated (:
|---------------------------------------------------------------|
|                          * CITATIONS *                        |
| When using VASPKIT in your research PLEASE cite the paper:    |
| [1] V. WANG, N. XU, J.-C. LIU, G. TANG, W.-T. GENG, VASPKIT: A|
| User-Friendly Interface Facilitating High-Throughput Computing|
| and Analysis Using VASP Code, Computer Physics Communications |
| 267, 108033, (2021), DOI: 10.1016/j.cpc.2021.108033           |
o---------------------------------------------------------------o