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#!/bin/bash #postprocessing for E-V #History: #2018/7/26 First release #by zhiqiang zhao #email:zhiqiangzhao55@163.com for j in 32 40 do cd /home/.public/home/zhaozq/WORSPACE/E-V/$j >$j-E-V.txt for i in $(seq 0.9 0.005 1.10) do grep 'volume/ion' $i/static/OUTCAR | awk '{printf "%-12.3lf",$5}'>> $j-E-V.txt grep 'energy without entropy' $i/static/OUTCAR | tail -n 1 |awk '{print $7}' >> $j-E-V.txt done done
本来自己写了一个可以完成任务,但是不太简洁的脚本,后来在师兄的帮助下对脚本进行了优化,感谢师兄!
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