Update 2021-12-15-QE-vc_relax.md

xh125 · Jan 17, 2025 · 211ed00 · 211ed00
1 parent c4bee84
commit 211ed00
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/_posts/2021-12-15-QE-vc_relax.md b/_posts/2021-12-15-QE-vc_relax.md
@@ -105,7 +105,7 @@ grep -A 12 " Total force =" vc-relax.out
 计算结束后，运行
 
 ```bash
-awk  '/Begin final coordinates/,/End final coordinates/{print $0}' vc-relax.out |sed -n '5,$p'
+awk '/Begin final coordinates/,/End final coordinates/{print $0}' vc-relax.out |sed -n '5,$p'
 ```
 
 得到以下输出（或在输出文件中可以找到）（vc-relax的结果）