From a7ec66026f651483e1c5e3d324f2cb026e2a43ce Mon Sep 17 00:00:00 2001
From: ydamour <yann.damour@hotmail.fr>
Date: Thu, 19 May 2022 10:42:29 +0200
Subject: [PATCH] provder for Ha to eV

---
 src/cisd/cisd.irp.f | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/cisd/cisd.irp.f b/src/cisd/cisd.irp.f
index abe66321..e8b5fddf 100644
--- a/src/cisd/cisd.irp.f
+++ b/src/cisd/cisd.irp.f
@@ -120,8 +120,8 @@ subroutine run
     print*,'******************************'
     print*,'Excitation energies (eV)    (CISD+Q)'
     do i = 2, N_states
-      print*, i ,(CI_energy(i) - CI_energy(1))*27.211396641308d0, &
-        (cisdq(i) - cisdq(1)) * 27.211396641308d0
+      print*, i ,(CI_energy(i) - CI_energy(1)) * ha_to_ev, &
+        (cisdq(i) - cisdq(1)) * ha_to_ev
     enddo
   endif