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下载安装包并解压上传集群

http://vaspkit.sourceforge.net/

进入到安装包文件夹并配置环境

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export PATH=/lustre/home/acct-umjzhh/umjzhh-3/opt/vaspkit.1.12:$PATH

vim how_to_set_environment_variable  #修改一下三行到势函数的位置
LDA_PATH                      ~/POTCAR/LDA       #  Path of LDA potential.
PBE_PATH                      ~/POTCAR/PBE       #  Path of PBE potential.
PW91_PATH                     ~/POTCAR/PW91      #  Path of PW91 potential.

运行安装命令

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bash setup.sh

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Introduction to corrosion science-E.McCafferty, P127

Overpotential

$\eta = E-E_o$

where E is the electrode potential for some condition of current flow and $E_o$ is the electrode potential for zero current flow (also called the open-circuit potential, corrosion potential). Note that the electrode potential of zero current flow Eo should not be confused with the standard electrode potential $E^o$, which plays a prominent role in corrosion thermodynamics.

Absolute Reaction Rate Theory