From 16975fc4c9422c28988d7569378df895d8976900 Mon Sep 17 00:00:00 2001
From: Ionizing <ljchen9@mail.ustc.edu.cn>
Date: Mon, 9 Dec 2024 17:17:14 +0800
Subject: [PATCH] [modelnac] fix nsw+1

---
 src/commands/modelnac.rs | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/commands/modelnac.rs b/src/commands/modelnac.rs
index 408bbfd..2cbb2ec 100644
--- a/src/commands/modelnac.rs
+++ b/src/commands/modelnac.rs
@@ -196,7 +196,7 @@ I suggest providing `gamma_half` argument to avoid confusion.");
         f.new_dataset::<usize>().create("ndigit")?.write_scalar(&4)?;
         f.new_dataset::<[usize;2]>().create("brange")?.write_scalar(&brange)?;
         f.new_dataset::<usize>().create("nbrange")?.write_scalar(&nbrange)?;
-        f.new_dataset::<usize>().create("nsw")?.write_scalar(&nsw)?;
+        f.new_dataset::<usize>().create("nsw")?.write_scalar(&(nsw+1))?;
         f.new_dataset::<f64>().create("efermi")?.write_scalar(&efermi)?;
         f.new_dataset::<f64>().create("potim")?.write_scalar(&self.potim)?;
         f.new_dataset::<f64>().create("temperature")?.write_scalar(&1E-6)?;