vasp软件全名是什么_qvasp一款简单易用的VASP辅助计算软件

下载链接：qvasp

主要功能如下：

1)生成各类计算的INCAR、以及KPOINTS、POTCAR、POSCAR(表面)

2)查看结构优化过程收敛情况

3)处理能带、态密度、光学吸收等

4)辅助过渡太计算、零点能矫正等

5)找晶体对称性，文件格式转换等

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 /p>

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!

相关资源：晶体学查看软件_晶体结构查询-软件测试其他资源-CSDN文库