From 87c44527675ca0ace6a2433d10e959287445dc0d Mon Sep 17 00:00:00 2001 From: EnzoMonino Date: Thu, 26 Nov 2020 18:20:48 +0100 Subject: [PATCH] sf-tddft excitations --- output/sf_tddft_eighth_excitation | 51 ++++++++++++++++++++++++++++++ output/sf_tddft_fifth_excitation | 51 ++++++++++++++++++++++++++++++ output/sf_tddft_first_excitation | 51 ++++++++++++++++++++++++++++++ output/sf_tddft_fourth_excitation | 51 ++++++++++++++++++++++++++++++ output/sf_tddft_ninth_excitation | 51 ++++++++++++++++++++++++++++++ output/sf_tddft_second_excitation | 51 ++++++++++++++++++++++++++++++ output/sf_tddft_seventh_excitation | 51 ++++++++++++++++++++++++++++++ output/sf_tddft_sixth_excitation | 51 ++++++++++++++++++++++++++++++ output/sf_tddft_tenth_excitation | 51 ++++++++++++++++++++++++++++++ output/sf_tddft_third_excitation | 51 ++++++++++++++++++++++++++++++ 10 files changed, 510 insertions(+) create mode 100644 output/sf_tddft_eighth_excitation create mode 100644 output/sf_tddft_fifth_excitation create mode 100644 output/sf_tddft_first_excitation create mode 100644 output/sf_tddft_fourth_excitation create mode 100644 output/sf_tddft_ninth_excitation create mode 100644 output/sf_tddft_second_excitation create mode 100644 output/sf_tddft_seventh_excitation create mode 100644 output/sf_tddft_sixth_excitation create mode 100644 output/sf_tddft_tenth_excitation create mode 100644 output/sf_tddft_third_excitation diff --git a/output/sf_tddft_eighth_excitation b/output/sf_tddft_eighth_excitation new file mode 100644 index 0000000..e12d02c --- /dev/null +++ b/output/sf_tddft_eighth_excitation @@ -0,0 +1,51 @@ +25.8378 +23.5677 +21.4692 +19.6397 +18.0732 +18.1467 +18.8809 +19.5879 +20.2615 +20.9021 +21.5143 +21.5205 +21.1502 +20.8667 +20.6646 +20.5390 +20.4819 +20.4769 +20.4976 +20.5170 +20.5216 +20.5142 +20.5028 +20.4980 +20.5061 +20.5305 +20.5717 +20.6276 +20.6944 +20.7670 +20.8406 +20.9109 +20.9747 +21.0301 +21.0766 +21.1150 +21.1463 +21.1723 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+-4.8421 +-3.5569 +-2.3899 +-1.3456 +-0.4210 +0.3910 +1.0997 +1.7149 +2.2464 +2.7029 +3.0929 +3.4239 +3.7029 +3.9362 +4.1298 +4.2889 +4.4185 +4.5234 +4.6075 +4.6744 +4.7272 +4.7686 +4.8012 +4.8266 +4.8464 +4.8617 +4.8735 +4.8827 +4.8900 +4.8957 +4.9002 +4.9036 +4.9063 +4.9084 +4.9101 +4.9115 +4.9127 +4.9136 +4.9143 +4.9149 +4.9154 +4.9157 +4.9159 +4.9162 +4.9164 +4.9166 +4.9167 +4.9168 diff --git a/output/sf_tddft_fourth_excitation b/output/sf_tddft_fourth_excitation new file mode 100644 index 0000000..e9e6710 --- /dev/null +++ b/output/sf_tddft_fourth_excitation @@ -0,0 +1,51 @@ +8.1657 +7.9533 +7.8372 +8.1205 +9.0552 +9.9722 +10.8413 +11.6366 +12.3272 +12.7038 +12.3497 +11.8730 +11.4462 +11.0805 +10.7729 +10.5182 +10.3108 +10.1453 +10.0163 +9.9190 +9.8488 +9.8014 +9.7731 +9.7604 +9.7604 +9.7709 +9.7896 +9.8148 +9.8448 +9.8786 +9.9151 +9.9536 +9.9934 +10.0338 +10.0743 +10.1147 +10.1545 +10.1937 +10.2320 +10.2693 +10.3055 +10.3404 +10.3741 +10.4065 +10.4376 +10.4675 +10.4962 +10.5239 +10.5505 +10.5760 +10.6006 diff --git a/output/sf_tddft_ninth_excitation b/output/sf_tddft_ninth_excitation new file mode 100644 index 0000000..96c8310 --- /dev/null +++ b/output/sf_tddft_ninth_excitation @@ -0,0 +1,51 @@ +26.6044 +25.3555 +23.8291 +22.6025 +21.6539 +20.9491 +20.4420 +20.0857 +20.2615 +20.9021 +21.5143 +22.1026 +22.6675 +23.2044 +23.7046 +23.5683 +23.3760 +23.3221 +23.4330 +23.7122 +24.1255 +24.6082 +25.0897 +25.5145 +25.8114 +25.8355 +25.8517 +25.8624 +25.8695 +25.8743 +25.8775 +25.8799 +25.8816 +25.8828 +25.8837 +25.8843 +25.8847 +25.8851 +25.8854 +25.8857 +25.8859 +25.8861 +25.8862 +25.8863 +25.8863 +25.8864 +25.8864 +25.8864 +25.8865 +25.8866 +25.8867 diff --git a/output/sf_tddft_second_excitation b/output/sf_tddft_second_excitation new file mode 100644 index 0000000..4af0eac --- /dev/null +++ b/output/sf_tddft_second_excitation @@ -0,0 +1,51 @@ +3.7028 +3.9647 +4.2369 +4.4981 +4.7271 +4.9078 +5.0343 +5.1118 +5.1512 +5.1640 +5.1595 +5.1446 +5.1241 +5.1011 +5.0777 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b/output/sf_tddft_sixth_excitation new file mode 100644 index 0000000..03dae5a --- /dev/null +++ b/output/sf_tddft_sixth_excitation @@ -0,0 +1,51 @@ +14.7107 +15.2781 +15.9364 +16.6531 +17.3981 +16.7423 +15.7003 +15.7491 +15.8127 +15.8837 +15.9582 +16.0341 +16.1097 +16.1842 +16.2585 +16.3338 +16.4110 +16.4887 +16.5629 +16.6360 +16.7028 +16.7294 +16.7297 +16.7311 +16.7200 +16.6995 +16.6723 +16.6408 +16.6069 +16.5723 +16.5387 +16.5072 +16.4788 +16.4540 +16.4331 +16.4161 +16.4029 +16.3931 +16.3862 +16.3819 +16.3794 +16.3783 +16.3782 +16.3788 +16.3797 +16.3807 +16.3819 +16.3830 +16.3839 +16.3848 +16.3855 diff --git a/output/sf_tddft_tenth_excitation b/output/sf_tddft_tenth_excitation new file mode 100644 index 0000000..dc82223 --- /dev/null +++ b/output/sf_tddft_tenth_excitation @@ -0,0 +1,51 @@ +26.6044 +27.1628 +27.5860 +27.7005 +27.2958 +26.2395 +25.0923 +24.0948 +23.2561 +22.5593 +21.9861 +22.1026 +22.6675 +23.2044 +23.7046 +24.1579 +24.5552 +24.8903 +24.9934 +25.0343 +25.2353 +25.5288 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