VASPWheels - A toolkit for supplementing first-principles calculation via V.A.S.P.. VASPWheels to V.A.S.P. is like wheels to bicycle, indispensable.

This is a new version of V.A.S.P. wheels that could evoke the most powerful impulse in human nature: the desire to explore, driving you to move faster than possible, fight longer than possible.

Introduction

This is the old version used for development. For the new version, please refer to VASPWheels

Theory

Important knowledge

Unit conversion

VASP的电荷密度文件CHG跟CHGCAR的默认电荷单位为Bohr，若要转变为Angstrom

（有些关于单位转换啊，还有各种小技巧啊之类的，事实上就是杂记）

API