From c01fdb4c9a317a1100de8ede7a37853596ff6e50 Mon Sep 17 00:00:00 2001
From: Weiguo Jing <jingslaw163@gmail.com>
Date: Wed, 24 Jun 2026 11:45:40 +0200
Subject: [PATCH] fix the unit of 30 from Bohr^3 to Angstrom^3

---
 calcDelta.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/calcDelta.py b/calcDelta.py
index 684c182..7442092 100644
--- a/calcDelta.py
+++ b/calcDelta.py
@@ -182,7 +182,7 @@ def calcDelta(data_f, data_w, eloverlap, useasymm):
         b0f[i] = data_f['B0'][searchnr] * 10.**9. / 1.602176565e-19 / 10.**30.
         b1f[i] = data_f['BP'][searchnr]
 
-    vref = 30.
+    vref = 30. * 0.5291772105 ** 3.
     bref = 100. * 10.**9. / 1.602176565e-19 / 10.**30.
 
     if useasymm: