VASPKIT:

Wen-Tong Geng1, Ya-Chao Liu2, Nan Xu3

  • 1Zhejiang Institute of Photoelectronics & Zhejiang Institute for Advanced Light Source, Department of Physics, Zhejiang Normal University, Jinhua, China.

Nature protocols
|April 24, 2025
PubMed
概括

VASPKIT简化了维也纳初始模拟包 (VASP) 用户的计算材料科学工作流程. 这个工具包自动化了密度函数理论 (DFT) 计算和数据分析,使先进的材料模拟更容易获得.

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