各种VASP后处理脚本和软件-20170917
又是一年开学季,又有众多童鞋入坑第一性原理计算,因此有必要分享一下,VASP处理能带的,处理功函,处理费米面、处理态密度等等各种脚本。
1)收集论坛的脚本,主要是侯柱锋老师编写的
见下面附件!
2)VTST官网最新脚本
见下面附件!
3)王老师编写的vaspkit后处理软件
下载链接:http://sourceforge.net/projects/vaspkit/#opennewwindow
Postprocessing tool for VASP.
Basic features:
1, Convert POSCAR or CONTCAR to cif or xsf format;
2, Extract the data of DOS and Band (Open with origin or gunplot);
3, Extract Charge/Spin density (Open with VESTA );
4, Linear optical properties.
5, and so on...
4)易童鞋编写的qvasp后处理软件
下载链接:https://sourceforge.net/projects/qvasp/
This was written for VASP as a useful tools.
by Yi,Wencai,the group of professor Liu Jingyao at Jiin University.
Please contact me at yi.wencai@163.com if you have any question
At first,How to install ?
I sugggest you can use the command "sh install.sh" to install it.
or you to add the follow command in your environment variable(like .bashrc or /etc/profile)
for example:
export qvasppath=/export/apps/qvasp ## modify it as the path in your servers
export PATH=$qvasppath:$PATH
export PATH=$qvasppath/vtstscripts:$PATH
Then use command "qvasp -help" to get the useage.
You need get my permission to copy it to others!
不错
感恩,谢谢分享,同时谢谢开发者
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好东西啊。谢谢楼主分享!
顶一下,感谢分享!
顶一下,感谢分享!
顶一下,感谢分享!