The plane-average electron difference in VASP

VASP 的差分电荷密度计算及图像处理 中介绍了差分电荷密度的计算方法与三维图像处理,在文献中常常能见到二维的差分电荷图与平均到某个方向的差分电荷曲线(如图)。一般二维的差分电荷密度图在 VESTA 中 Utilitie / 2D Data Display 便可以进行处理,本文简单介绍一下平面平均差分电荷 (The plane-average electron difference) 的数据处理方式。

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VASP - Bader 电荷分析计算


使用的工具: VASP, Baderchgsum.pl


使用 VASP 进行 Bader 电荷分析,可以得到原子周围的电子数,从而近似得到原子的化合价。本文简单介绍 Bader 程序的安装与使用 VASP 进行 bader 分析的计算过程。

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Graphic Instructor 进行量化计算(VASP)与分析

All-in-tool of VASP or QE

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同里古镇 • 苏州 游记


  • 日期:2017/5/27 - 2017/5/30
  • 行程:芜湖/南京 - 同里古镇 - 苏州

写在前面的话莫过于一句,念念不忘,必有回响。

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The Calculation of Carrier Mobility for 2D Materials

The screenshot of ppt

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HSE Functional for Band Structures in VASP

Related Reading

VASP the GUIDE: Hartree-Fock (HF) type and hybrid functional calculations
VASPwiki: Tutorial on hybrid functionals
Related discussion: How can I calculate the DOS by using HSE06 in vasp?

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Unix/Linux 及 vi 编辑器基本命令参考

Starting a Terminal. Continually updated…

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The Installation of Sci-hub Plugin

A lawsuit isn’t going to stop [Sci-Hub], nor is there any obvious technical means. Everyone should be thinking about the fact that this is here to stay.
Peter Suber, Harvard University

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VASP 计算问题小结

本文转载自博主一个人就是一个叠加态 ,有部分删减修改,文中对相关概念方法做了详细的总结,留坑待填…

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知识管理软件 Zotero 的使用

Zotero 简介

Zotero [zoh-TAIR-oh] is a free, easy-to-use tool to help you collect, organize, cite, and share your research sources.

Zotero是一个免费且易用的工具,可以帮助你收集、整理、引用和分享你的研究资讯。

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