From 8bb1362e8d8cc5dd2a79b128713ca9a54b7fd652 Mon Sep 17 00:00:00 2001
From: EnzoMonino <enzo.monino@irsamc.ups-tlse.fr>
Date: Fri, 4 Dec 2020 13:50:53 +0100
Subject: [PATCH] CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies

---
 output/cis_eighth_excitation       | 122 +++++++++++++++++------------
 output/cis_fifth_excitation        | 122 +++++++++++++++++------------
 output/cis_first_excitation        | 122 +++++++++++++++++------------
 output/cis_fourth_excitation       | 122 +++++++++++++++++------------
 output/cis_ninth_excitation        | 122 +++++++++++++++++------------
 output/cis_second_excitation       | 122 +++++++++++++++++------------
 output/cis_seventh_excitation      | 122 +++++++++++++++++------------
 output/cis_sixth_excitation        | 122 +++++++++++++++++------------
 output/cis_tenth_excitation        | 122 +++++++++++++++++------------
 output/cis_third_excitation        | 122 +++++++++++++++++------------
 output/sf_cis_eighth_excitation    | 122 +++++++++++++++++------------
 output/sf_cis_fifth_excitation     | 122 +++++++++++++++++------------
 output/sf_cis_first_excitation     | 106 +++++++++++++++----------
 output/sf_cis_fourth_excitation    | 122 +++++++++++++++++------------
 output/sf_cis_ninth_excitation     | 122 +++++++++++++++++------------
 output/sf_cis_second_excitation    |  82 +++++++++++--------
 output/sf_cis_seventh_excitation   | 122 +++++++++++++++++------------
 output/sf_cis_sixth_excitation     | 122 +++++++++++++++++------------
 output/sf_cis_tenth_excitation     | 122 +++++++++++++++++------------
 output/sf_cis_third_excitation     | 122 +++++++++++++++++------------
 output/sf_tddft_eighth_excitation  | 122 +++++++++++++++++------------
 output/sf_tddft_fifth_excitation   | 122 +++++++++++++++++------------
 output/sf_tddft_first_excitation   | 122 +++++++++++++++++------------
 output/sf_tddft_fourth_excitation  | 122 +++++++++++++++++------------
 output/sf_tddft_ninth_excitation   | 122 +++++++++++++++++------------
 output/sf_tddft_second_excitation  | 118 ++++++++++++++++------------
 output/sf_tddft_seventh_excitation | 122 +++++++++++++++++------------
 output/sf_tddft_sixth_excitation   | 122 +++++++++++++++++------------
 output/sf_tddft_tenth_excitation   | 122 +++++++++++++++++------------
 output/sf_tddft_third_excitation   | 122 +++++++++++++++++------------
 output/tddft_eighth_excitation     | 122 +++++++++++++++++------------
 output/tddft_fifth_excitation      | 122 +++++++++++++++++------------
 output/tddft_first_excitation      | 122 +++++++++++++++++------------
 output/tddft_fourth_excitation     | 122 +++++++++++++++++------------
 output/tddft_ninth_excitation      | 122 +++++++++++++++++------------
 output/tddft_second_excitation     | 122 +++++++++++++++++------------
 output/tddft_seventh_excitation    | 122 +++++++++++++++++------------
 output/tddft_sixth_excitation      | 122 +++++++++++++++++------------
 output/tddft_tenth_excitation      | 122 +++++++++++++++++------------
 output/tddft_third_excitation      | 122 +++++++++++++++++------------
 40 files changed, 2810 insertions(+), 2010 deletions(-)

diff --git a/output/cis_eighth_excitation b/output/cis_eighth_excitation
index 33024aa..d41cf74 100644
--- a/output/cis_eighth_excitation
+++ b/output/cis_eighth_excitation
@@ -1,51 +1,71 @@
-27.6846
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diff --git a/output/cis_fifth_excitation b/output/cis_fifth_excitation
index 330c386..4dc9a3e 100644
--- a/output/cis_fifth_excitation
+++ b/output/cis_fifth_excitation
@@ -1,51 +1,71 @@
-22.8892
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diff --git a/output/cis_first_excitation b/output/cis_first_excitation
index 081f32a..9f5f52c 100644
--- a/output/cis_first_excitation
+++ b/output/cis_first_excitation
@@ -1,51 +1,71 @@
-13.9868
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-7.6843
-6.3417
-5.1183
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-3.0258
-2.1433
-1.3570
-0.6568
-0.0329
--0.5240
--1.0220
--1.4686
--1.8700
--2.2317
--2.5587
--2.8550
--3.1243
--3.3697
--3.5939
--3.7994
--3.9881
--4.1620
--4.3224
--4.4707
--4.6081
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--5.0663
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--5.6710
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--5.7767
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--6.0215
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diff --git a/output/cis_fourth_excitation b/output/cis_fourth_excitation
index 5301af5..7e99e97 100644
--- a/output/cis_fourth_excitation
+++ b/output/cis_fourth_excitation
@@ -1,51 +1,71 @@
-18.6829
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diff --git a/output/cis_ninth_excitation b/output/cis_ninth_excitation
index e4ae95f..e8c97b5 100644
--- a/output/cis_ninth_excitation
+++ b/output/cis_ninth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/cis_second_excitation b/output/cis_second_excitation
index 0924caf..23fe88a 100644
--- a/output/cis_second_excitation
+++ b/output/cis_second_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/cis_seventh_excitation b/output/cis_seventh_excitation
index 3bc4a2f..2d0ca9f 100644
--- a/output/cis_seventh_excitation
+++ b/output/cis_seventh_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/cis_sixth_excitation b/output/cis_sixth_excitation
index 0c8e044..f2038e1 100644
--- a/output/cis_sixth_excitation
+++ b/output/cis_sixth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/cis_tenth_excitation b/output/cis_tenth_excitation
index 0bf49c9..e176419 100644
--- a/output/cis_tenth_excitation
+++ b/output/cis_tenth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/cis_third_excitation b/output/cis_third_excitation
index 4d66fa2..937bd87 100644
--- a/output/cis_third_excitation
+++ b/output/cis_third_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/sf_cis_eighth_excitation b/output/sf_cis_eighth_excitation
index 4142e64..d34e9a7 100644
--- a/output/sf_cis_eighth_excitation
+++ b/output/sf_cis_eighth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/sf_cis_fifth_excitation b/output/sf_cis_fifth_excitation
index a545716..1e88d32 100644
--- a/output/sf_cis_fifth_excitation
+++ b/output/sf_cis_fifth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/sf_cis_first_excitation b/output/sf_cis_first_excitation
index 3831a97..a8a7986 100644
--- a/output/sf_cis_first_excitation
+++ b/output/sf_cis_first_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/sf_cis_fourth_excitation b/output/sf_cis_fourth_excitation
index 2dd5006..88c4c9f 100644
--- a/output/sf_cis_fourth_excitation
+++ b/output/sf_cis_fourth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/sf_cis_ninth_excitation b/output/sf_cis_ninth_excitation
index 775e206..9c2758d 100644
--- a/output/sf_cis_ninth_excitation
+++ b/output/sf_cis_ninth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/sf_cis_second_excitation b/output/sf_cis_second_excitation
index 617356c..d39a092 100644
--- a/output/sf_cis_second_excitation
+++ b/output/sf_cis_second_excitation
@@ -1,3 +1,46 @@
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diff --git a/output/sf_cis_seventh_excitation b/output/sf_cis_seventh_excitation
index 37ae43b..73c240f 100644
--- a/output/sf_cis_seventh_excitation
+++ b/output/sf_cis_seventh_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/sf_cis_sixth_excitation b/output/sf_cis_sixth_excitation
index cfb159d..e5767fc 100644
--- a/output/sf_cis_sixth_excitation
+++ b/output/sf_cis_sixth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/sf_cis_tenth_excitation b/output/sf_cis_tenth_excitation
index fe0830a..14aac51 100644
--- a/output/sf_cis_tenth_excitation
+++ b/output/sf_cis_tenth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/sf_cis_third_excitation b/output/sf_cis_third_excitation
index a0a9d22..eea23bb 100644
--- a/output/sf_cis_third_excitation
+++ b/output/sf_cis_third_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/sf_tddft_eighth_excitation b/output/sf_tddft_eighth_excitation
index e12d02c..93a9727 100644
--- a/output/sf_tddft_eighth_excitation
+++ b/output/sf_tddft_eighth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/sf_tddft_fifth_excitation b/output/sf_tddft_fifth_excitation
index a5bf559..30d922f 100644
--- a/output/sf_tddft_fifth_excitation
+++ b/output/sf_tddft_fifth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/sf_tddft_first_excitation b/output/sf_tddft_first_excitation
index 0e00f0c..d4d3651 100644
--- a/output/sf_tddft_first_excitation
+++ b/output/sf_tddft_first_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/sf_tddft_fourth_excitation b/output/sf_tddft_fourth_excitation
index e9e6710..3df0fda 100644
--- a/output/sf_tddft_fourth_excitation
+++ b/output/sf_tddft_fourth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/sf_tddft_ninth_excitation b/output/sf_tddft_ninth_excitation
index 96c8310..f633d45 100644
--- a/output/sf_tddft_ninth_excitation
+++ b/output/sf_tddft_ninth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/sf_tddft_second_excitation b/output/sf_tddft_second_excitation
index 4af0eac..94f401e 100644
--- a/output/sf_tddft_second_excitation
+++ b/output/sf_tddft_second_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/sf_tddft_seventh_excitation b/output/sf_tddft_seventh_excitation
index c979c5f..a6854b6 100644
--- a/output/sf_tddft_seventh_excitation
+++ b/output/sf_tddft_seventh_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/sf_tddft_sixth_excitation b/output/sf_tddft_sixth_excitation
index 03dae5a..fb90cee 100644
--- a/output/sf_tddft_sixth_excitation
+++ b/output/sf_tddft_sixth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/sf_tddft_tenth_excitation b/output/sf_tddft_tenth_excitation
index dc82223..8b4e035 100644
--- a/output/sf_tddft_tenth_excitation
+++ b/output/sf_tddft_tenth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/sf_tddft_third_excitation b/output/sf_tddft_third_excitation
index 227955a..32381b0 100644
--- a/output/sf_tddft_third_excitation
+++ b/output/sf_tddft_third_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/tddft_eighth_excitation b/output/tddft_eighth_excitation
index 01e0f91..373384b 100644
--- a/output/tddft_eighth_excitation
+++ b/output/tddft_eighth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/tddft_fifth_excitation b/output/tddft_fifth_excitation
index f8c82d4..2b844cd 100644
--- a/output/tddft_fifth_excitation
+++ b/output/tddft_fifth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/tddft_first_excitation b/output/tddft_first_excitation
index 3030023..f99a302 100644
--- a/output/tddft_first_excitation
+++ b/output/tddft_first_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/tddft_fourth_excitation b/output/tddft_fourth_excitation
index 9357d67..52f29cc 100644
--- a/output/tddft_fourth_excitation
+++ b/output/tddft_fourth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/tddft_ninth_excitation b/output/tddft_ninth_excitation
index f445776..dba1be0 100644
--- a/output/tddft_ninth_excitation
+++ b/output/tddft_ninth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/tddft_second_excitation b/output/tddft_second_excitation
index 37bb61f..3c1a888 100644
--- a/output/tddft_second_excitation
+++ b/output/tddft_second_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/tddft_seventh_excitation b/output/tddft_seventh_excitation
index 33720cd..26c462b 100644
--- a/output/tddft_seventh_excitation
+++ b/output/tddft_seventh_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/tddft_sixth_excitation b/output/tddft_sixth_excitation
index 9421e68..c5e1344 100644
--- a/output/tddft_sixth_excitation
+++ b/output/tddft_sixth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/tddft_tenth_excitation b/output/tddft_tenth_excitation
index 36cec7f..c786da2 100644
--- a/output/tddft_tenth_excitation
+++ b/output/tddft_tenth_excitation
@@ -1,51 +1,71 @@
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diff --git a/output/tddft_third_excitation b/output/tddft_third_excitation
index 44e0413..027c843 100644
--- a/output/tddft_third_excitation
+++ b/output/tddft_third_excitation
@@ -1,51 +1,71 @@
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