vaspkit计算弹性常数

1、先把提交命令的脚本拿上来,其他的稍后补充

#!/bin/bash
root_path=`pwd`
for cij in `ls -F | grep /$`
do
cd ${root_path}/$cij
for s in strain_*
do
cd ${root_path}/$cij/$s
echo `pwd`
    cp ../../vasp.pbs .
    qsub vasp.pbs
done
done

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