From 511a80e062213a76d2bc7aa7cf7179c74786de24 Mon Sep 17 00:00:00 2001
From: ydamour <yann.damour@hotmail.fr>
Date: Mon, 28 Mar 2022 20:08:35 +0200
Subject: [PATCH] add excitation energies in eV

---
 src/cis/cis.irp.f | 9 ++++++---
 1 file changed, 6 insertions(+), 3 deletions(-)

diff --git a/src/cis/cis.irp.f b/src/cis/cis.irp.f
index ab2294ad..f72197c2 100644
--- a/src/cis/cis.irp.f
+++ b/src/cis/cis.irp.f
@@ -62,6 +62,7 @@ subroutine run
   else
    call H_apply_cis
   endif
+  print*,''
   print *,  'N_det = ', N_det
   print*,'******************************'
   print *,  'Energies  of the states:'
@@ -69,11 +70,13 @@ subroutine run
     print *,  i, CI_energy(i)
   enddo
   if (N_states > 1) then
-    print*,'******************************'
-    print*,'Excitation energies '
+    print*,''
+    print*,'******************************************************'
+    print*,'Excitation energies (au)                     (eV)'
     do i = 2, N_states
-      print*, i ,CI_energy(i) - CI_energy(1)
+      print*, i ,CI_energy(i) - CI_energy(1), (CI_energy(i) - CI_energy(1))/0.0367502d0
     enddo
+    print*,''
   endif
 
   call ezfio_set_cis_energy(CI_energy)