From 62dbf1194249cde77526aea436d83897299c408c Mon Sep 17 00:00:00 2001
From: ydamour <yann.damour@hotmail.fr>
Date: Thu, 19 May 2022 10:28:05 +0200
Subject: [PATCH] update au to eV

---
 src/cis/cis.irp.f   | 2 +-
 src/cisd/cisd.irp.f | 4 ++--
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/src/cis/cis.irp.f b/src/cis/cis.irp.f
index f72197c2..57bf7789 100644
--- a/src/cis/cis.irp.f
+++ b/src/cis/cis.irp.f
@@ -74,7 +74,7 @@ subroutine run
     print*,'******************************************************'
     print*,'Excitation energies (au)                     (eV)'
     do i = 2, N_states
-      print*, i ,CI_energy(i) - CI_energy(1), (CI_energy(i) - CI_energy(1))/0.0367502d0
+      print*, i ,CI_energy(i) - CI_energy(1), (CI_energy(i) - CI_energy(1)) * 27.211396641308d0
     enddo
     print*,''
   endif
diff --git a/src/cisd/cisd.irp.f b/src/cisd/cisd.irp.f
index fca3b10e..a6211d20 100644
--- a/src/cisd/cisd.irp.f
+++ b/src/cisd/cisd.irp.f
@@ -95,8 +95,8 @@ subroutine run
     print*,'******************************'
     print*,'Excitation energies (eV)    (CISD+Q)'
     do i = 2, N_states
-      print*, i ,(CI_energy(i) - CI_energy(1))/0.0367502d0, &
-        (cisdq(i) - cisdq(1)) / 0.0367502d0
+      print*, i ,(CI_energy(i) - CI_energy(1))*27.211396641308d0, &
+        (cisdq(i) - cisdq(1)) * 27.211396641308d0
     enddo
   endif