From cfe2ac16447b0cf2d9313a8c08433df146c335e0 Mon Sep 17 00:00:00 2001 From: kossoski Date: Sun, 6 Mar 2022 20:50:46 +0100 Subject: [PATCH] Sup Inf --- H8_cc-pvdz/pes_CISDTQ.dat | 2 +- Manuscript/F2_distance.pdf | Bin 0 -> 4435 bytes Manuscript/F2_freq.pdf | Bin 0 -> 7724 bytes Manuscript/F2_npe.pdf | Bin 0 -> 4388 bytes Manuscript/F2_pes.pdf | Bin 0 -> 11193 bytes Manuscript/F2_pes_error.pdf | Bin 0 -> 10203 bytes Manuscript/F2_xe.pdf | Bin 0 -> 7982 bytes Manuscript/H4_distance.pdf | Bin 0 -> 4515 bytes Manuscript/H4_force.pdf | Bin 0 -> 7624 bytes Manuscript/H4_npe.pdf | Bin 0 -> 4470 bytes Manuscript/H4_pes.pdf | Bin 0 -> 12354 bytes Manuscript/H4_pes_error.pdf | Bin 0 -> 12696 bytes Manuscript/H4_xe.pdf | Bin 0 -> 7636 bytes Manuscript/H8_distance.pdf | Bin 0 -> 4467 bytes Manuscript/H8_force.pdf | Bin 0 -> 7965 bytes Manuscript/H8_npe.pdf | Bin 0 -> 4400 bytes Manuscript/H8_pes.pdf | Bin 0 -> 14809 bytes Manuscript/H8_pes_error.pdf | Bin 0 -> 13916 bytes Manuscript/H8_xe.pdf | Bin 0 -> 7738 bytes Manuscript/HF_distance.pdf | Bin 0 -> 4652 bytes Manuscript/HF_freq.pdf | Bin 0 -> 7836 bytes Manuscript/HF_npe.pdf | Bin 0 -> 4458 bytes Manuscript/HF_pes.pdf | Bin 0 -> 11188 bytes Manuscript/HF_pes_error.pdf | Bin 0 -> 9703 bytes Manuscript/HF_xe.pdf | Bin 0 -> 7860 bytes Manuscript/N2_distance.pdf | Bin 0 -> 4516 bytes Manuscript/N2_freq.pdf | Bin 0 -> 7860 bytes Manuscript/N2_npe.pdf | Bin 0 -> 4417 bytes Manuscript/N2_pes.pdf | Bin 0 -> 11436 bytes Manuscript/N2_pes_error.pdf | Bin 0 -> 10024 bytes Manuscript/N2_xe.pdf | Bin 0 -> 7830 bytes Manuscript/ethylene_distance.pdf | Bin 0 -> 4426 bytes Manuscript/ethylene_freq.pdf | Bin 0 -> 7812 bytes Manuscript/ethylene_npe.pdf | Bin 0 -> 4411 bytes Manuscript/ethylene_pes.pdf | Bin 0 -> 12928 bytes Manuscript/ethylene_pes_error.pdf | Bin 0 -> 11054 bytes Manuscript/ethylene_xe.pdf | Bin 0 -> 7946 bytes Manuscript/freq.pdf | Bin 10994 -> 10994 bytes Manuscript/plot_stat.pdf | Bin 7233 -> 7226 bytes Manuscript/sup.tex | 359 +++++++++++++++++++++--------- Manuscript/xe.pdf | Bin 10970 -> 10970 bytes plot_all/xe.gnu | 4 +- plot_all/xe_opt.gnu | 4 +- 43 files changed, 258 insertions(+), 111 deletions(-) create mode 100644 Manuscript/F2_distance.pdf create mode 100644 Manuscript/F2_freq.pdf create mode 100644 Manuscript/F2_npe.pdf create mode 100644 Manuscript/F2_pes.pdf create mode 100644 Manuscript/F2_pes_error.pdf create mode 100644 Manuscript/F2_xe.pdf create mode 100644 Manuscript/H4_distance.pdf create mode 100644 Manuscript/H4_force.pdf create mode 100644 Manuscript/H4_npe.pdf create mode 100644 Manuscript/H4_pes.pdf create mode 100644 Manuscript/H4_pes_error.pdf create mode 100644 Manuscript/H4_xe.pdf create mode 100644 Manuscript/H8_distance.pdf create mode 100644 Manuscript/H8_force.pdf create mode 100644 Manuscript/H8_npe.pdf create mode 100644 Manuscript/H8_pes.pdf create mode 100644 Manuscript/H8_pes_error.pdf create mode 100644 Manuscript/H8_xe.pdf create mode 100644 Manuscript/HF_distance.pdf create mode 100644 Manuscript/HF_freq.pdf create mode 100644 Manuscript/HF_npe.pdf create mode 100644 Manuscript/HF_pes.pdf create mode 100644 Manuscript/HF_pes_error.pdf create mode 100644 Manuscript/HF_xe.pdf create mode 100644 Manuscript/N2_distance.pdf create mode 100644 Manuscript/N2_freq.pdf create mode 100644 Manuscript/N2_npe.pdf create mode 100644 Manuscript/N2_pes.pdf create mode 100644 Manuscript/N2_pes_error.pdf create mode 100644 Manuscript/N2_xe.pdf create mode 100644 Manuscript/ethylene_distance.pdf create mode 100644 Manuscript/ethylene_freq.pdf create mode 100644 Manuscript/ethylene_npe.pdf create mode 100644 Manuscript/ethylene_pes.pdf create mode 100644 Manuscript/ethylene_pes_error.pdf create mode 100644 Manuscript/ethylene_xe.pdf diff --git a/H8_cc-pvdz/pes_CISDTQ.dat b/H8_cc-pvdz/pes_CISDTQ.dat index 81d787a..e09b963 100644 --- a/H8_cc-pvdz/pes_CISDTQ.dat +++ b/H8_cc-pvdz/pes_CISDTQ.dat @@ -58,7 +58,7 @@ 6.1 -3.94150395 6.2 -3.94193508 6.3 -3.94234878 -6.4 -3.93442801 +6.4 -3.94275670 6.5 -3.94315183 6.6 -3.94353415 6.7 -3.94390984 diff --git a/Manuscript/F2_distance.pdf b/Manuscript/F2_distance.pdf new file mode 100644 index 0000000000000000000000000000000000000000..cf3f3bad9a8910f7d0892b665d6440353a87b03f GIT binary patch literal 4435 zcmb_g2~-o;8pfqoQ++BGsZ?-^rV$~T$s{3*AruHGNDv_w1W|`%0)cEyCJ?9#MXTTj zxM8L4isD8^R9sP?iiipbZYbam7E};hcYJpOs94{2j&n|uJOBN+`!DzVPw0VCA10f{ zr_qa>(l^j}5CZ8VV`ySA?2qfB$Y{tFP=a6|wT8qA2=>unBre4jdL=HA(2OL3V_KT| zw@aa=L^!{1O$OINg+94iuCwCxXRmO!72gzPr+lSb z;n>)3`tKR|B**N7U+nLx8dMtqJGjRmlX9AO-VReX=2%}(ZJe?zeb-5Pgw5)o#G