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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杭州-乌镇小记


  • 日期:2017/4/2 - 2017/4/4
  • 行程:芜湖/上海/池州 - 西湖 - 乌镇 - 嘉兴

大学计划多时的新马泰(大兴马集太和)三日游一直未果,时值清明公假,一来为放松心情,二来朋友许久未见甚是想念,便邀约杭州一聚,小辉和浩子已然参加工作,各种琐事绊扰,相聚着实不易。

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