srDFT_SC/Data/N2/data_N2_avdz_cas66

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2019-05-27 15:30:45 +02:00
#R PT2 ExFCI PT2 ExFCI LDA PBE PBEontop PBEontop-total den
2019-10-01 19:13:31 +02:00
0.75 -0.0004 -108.33947193 -0.0007 -108.33946405 -0.0914886996 -0.1070424196 -0.1699289825 -0.1061567322 -0.1614557591
0.80 -0.0008 -108.67786272 -0.0011 -108.67785930 -0.0884227435 -0.1022913850 -0.1573533433 -0.1020562137 -0.1514360497
0.85 -0.0005 -108.91432973 -0.0008 -108.91433014 -0.0855836989 -0.0977816132 -0.1460589025 -0.0981727005 -0.1424359565
0.90 -0.0009 -109.07548053 -0.0013 -109.07546988 -0.0829948485 -0.0935727483 -0.1361412462 -0.0945538430 -0.1344886631
0.95 -0.0006 -109.18115200 -0.0010 -109.18114325 -0.0806607904 -0.0897018746 -0.1275543492 -0.0912267339 -0.1275630515
1.00 -0.0008 -109.24616688 -0.0013 -109.24615888 -0.0785713266 -0.0861806295 -0.1201894418 -0.0881974444 -0.1215751408
1.05 -0.0012 -109.28167744 -0.0018 -109.28167026 -0.0767068872 -0.0830011671 -0.1138983952 -0.0854558810 -0.1164164167
1.10 -0.0014 -109.29605250 -0.0021 -109.29603444 -0.0750428435 -0.0801420965 -0.1085278796 -0.0829807901 -0.1119710374
1.15 -0.0011 -109.29554682 -0.0016 -109.29553591 -0.0735519206 -0.0775721581 -0.1039281741 -0.0807433332 -0.1081209885
1.20 -0.0019 -109.28476473 -0.0028 -109.28476054 -0.0722087055 -0.0752590846 -0.0999685066 -0.0787137030 -0.1047662489
1.25 -0.0015 -109.26725013 -0.0022 -109.26725628 -0.0709865955 -0.0731646477 -0.0965260805 -0.0768590078 -0.1018088909
1.30 -0.0019 -109.24552137 -0.0029 -109.24552227 -0.0698624757 -0.0712548783 -0.0934986920 -0.0751471919 -0.0991651187
1.35 -0.0020 -109.22150162 -0.0031 -109.22150192 -0.0688122985 -0.0694912530 -0.0907900501 -0.0735456267 -0.0967578638
1.40 -0.0019 -109.19656185 -0.0028 -109.19655750 -0.0678152137 -0.0678411309 -0.0883237492 -0.0720228215 -0.0945190253
1.45 -0.0019 -109.17169530 -0.0029 -109.17169663 -0.0668489414 -0.0662676426 -0.0860200362 -0.0705469574 -0.0923864187
1.50 -0.0020 -109.14760963 -0.0031 -109.14761252 -0.0658945203 -0.0647399025 -0.0838223013 -0.0690881860 -0.0903044767
1.55 -0.0022 -109.12484312 -0.0032 -109.12485763 -0.0649329790 -0.0632274957 -0.0816745922 -0.0676190003 -0.0882254381
1.60 -0.0024 -109.10371524 -0.0035 -109.10370476 -0.0639499987 -0.0617070181 -0.0795349700 -0.0661183336 -0.0861131252
1.65 -0.0019 -109.08439789 -0.0029 -109.08440242 -0.0629380318 -0.0601670332 -0.0773816833 -0.0645756415 -0.0839481089
1.70 -0.0025 -109.06701989 -0.0037 -109.06704921 -0.0618972789 -0.0586076626 -0.0752133915 -0.0629951439 -0.0817367855
1.75 -0.0024 -109.05167228 -0.0035 -109.05167897 -0.0608408692 -0.0570483799 -0.0730522979 -0.0613991968 -0.0795046952
1.80 -0.0022 -109.03831449 -0.0033 -109.03832414 -0.0597920423 -0.0555238771 -0.0709465751 -0.0598254941 -0.0773069571
1.85 -0.0042 -109.02693046 -0.0060 -109.02691940 -0.0587790805 -0.0540740294 -0.0689495160 -0.0583200325 -0.0752068719
1.90 -0.0024 -109.01721362 -0.0037 -109.01722616 -0.0578320461 -0.0527402224 -0.0671167890 -0.0569265052 -0.0732651503
1.95 -0.0026 -109.00922133 -0.0042 -109.00928598 -0.0569729482 -0.0515505833 -0.0654871236 -0.0556769675 -0.0715262343
2.00 -0.0027 -109.00267675 -0.0041 -109.00270544 -0.0562144118 -0.0505180792 -0.0640770627 -0.0545874004 -0.0700125205
2.05 -0.0027 -108.99735967 -0.0040 -108.99739794 -0.0555621199 -0.0496453574 -0.0628899730 -0.0536591888 -0.0687258510
2.10 -0.0030 -108.99317112 -0.0044 -108.99317423 -0.0550114265 -0.0489200414 -0.0619074939 -0.0528821850 -0.0676516927
2.15 -0.0029 -108.98975024 -0.0043 -108.98977747 -0.0545541366 -0.0483250184 -0.0611061960 -0.0522398098 -0.0667676860
2.20 -0.0047 -108.98712514 -0.0065 -108.98718399 -0.0541827563 -0.0478440449 -0.0604625798 -0.0517136825 -0.0660471971
2.25 -0.0044 -108.98494997 -0.0062 -108.98499487 -0.0538867643 -0.0474573143 -0.0599480518 -0.0512850056 -0.0654632590
2.30 -0.0043 -108.98330878 -0.0061 -108.98327333 -0.0536582488 -0.0471494111 -0.0595412895 -0.0509373969 -0.0649927668
2.35 -0.0038 -108.98185161 -0.0056 -108.98188988 -0.0534905212 -0.0469101754 -0.0592277727 -0.0506575271 -0.0646166147
2.40 -0.0041 -108.98084925 -0.0058 -108.98082913 -0.0533747064 -0.0467372653 -0.0590095956 -0.0504366674 -0.0643217791
2.45 -0.0032 -108.97983294 -0.0049 -108.97987597 -0.0532995847 -0.0466386118 -0.0590086515 -0.0502756346 -0.0641159455
2.50 -0.0039 -108.97917604 -0.0058 -108.97919830 -0.0532534556 -0.0465912972 -0.0638621961 -0.0501915006 -0.0642991956
2.55 -0.0034 -108.97848661 -0.0052 -108.97853163 -0.0531184470 -0.0464510892 -0.0646821425 -0.0500357723 -0.0640990926
2.60 -0.0035 -108.97799140 -0.0053 -108.97802659 -0.0530515697 -0.0463773759 -0.4619004990 -0.0499420145 -0.0684156377
2.65 -0.0038 -108.97753462 -0.0053 -108.97757353 -0.0529944282 -0.0463187433 -0.0642991255 -0.0498543945 -0.0638706423
2.70 -0.0052 -108.97718804 -0.0071 -108.97732363 -0.0529863131 -0.0463140968 -2.5585921571 -0.0498285204 -0.0850607956
2.75 -0.0036 -108.97695255 -0.0053 -108.97690831 -0.0529062335 -0.0462485466 -0.0612523533 -0.0497355249 -0.0636068488
2.80 -0.0036 -108.97656228 -0.0053 -108.97659250 -0.0528785148 -0.0462468265 -0.1817069773 -0.0497103508 -0.0654038013
2.85 -0.0047 -108.97640500 -0.0067 -108.97640332 -0.0528359028 -0.0462433168 -0.1031420726 -0.0496867039 -0.0646119598
2.90 -0.0035 -108.97616737 -0.0050 -108.97618039 -0.0528002760 -0.0462572179 -0.1098660038 -0.0496879259 -0.0649204178
2.95 -0.0037 -108.97589964 -0.0052 -108.97591480 -0.0527038775 -0.0462086998 -0.1056470372 -0.0496444210 -0.0645115702
3.00 -0.0039 -108.97586909 -0.0055 -108.97581343 -0.0526279047 -0.0461593876 -0.4258187823 -0.0496263536 -0.0687423328
#2 * N -108.9739012 -109.02698261 -109.02004929 -109.02337969 -109.02120186