50 lines
5.5 KiB
Plaintext
50 lines
5.5 KiB
Plaintext
#R PT2 ExFCI PT2 ExFCI LDA PBE PBEontop PBEontop-total den
|
|
0.75 -0.0004 -108.33947193 -0.0007 -108.33946405 -0.0932087584 -0.1104666191 -0.1065608066 -0.0990552678
|
|
0.80 -0.0008 -108.67786272 -0.0011 -108.67785930 -0.0903126459 -0.1060148858 -0.1024750256 -0.0954813513
|
|
0.85 -0.0005 -108.91432973 -0.0008 -108.91433014 -0.0876449067 -0.1017977289 -0.0986042331 -0.0920690180
|
|
0.90 -0.0009 -109.07548053 -0.0013 -109.07546988 -0.0852306114 -0.0978776543 -0.0949969960 -0.0888614425
|
|
0.95 -0.0006 -109.18115200 -0.0010 -109.18114325 -0.0830760263 -0.0942946547 -0.0916812015 -0.0858865215
|
|
1.00 -0.0008 -109.24616688 -0.0013 -109.24615888 -0.0811728638 -0.0910646394 -0.0886638553 -0.0831550205
|
|
1.05 -0.0012 -109.28167744 -0.0018 -109.28167026 -0.0795035744 -0.0881842852 -0.0859356480 -0.0806634297
|
|
1.10 -0.0014 -109.29605250 -0.0021 -109.29603444 -0.0780454414 -0.0856362191 -0.0834759077 -0.0783977146
|
|
1.15 -0.0011 -109.29554682 -0.0016 -109.29553591 -0.0767741358 -0.0833954023 -0.0812564730 -0.0763363619
|
|
1.20 -0.0019 -109.28476473 -0.0028 -109.28476054 -0.0756662537 -0.0814332468 -0.0792478120 -0.0744560355
|
|
1.25 -0.0015 -109.26725013 -0.0022 -109.26725628 -0.0746998542 -0.0797202320 -0.0774177335 -0.0727301607
|
|
1.30 -0.0019 -109.24552137 -0.0029 -109.24552227 -0.0738554556 -0.0782279296 -0.0757342815 -0.0711317257
|
|
1.35 -0.0020 -109.22150162 -0.0031 -109.22150192 -0.0731156724 -0.0769294042 -0.0741654500 -0.0696330837
|
|
1.40 -0.0019 -109.19656185 -0.0028 -109.19655750 -0.0724656390 -0.0758003085 -0.0726798192 -0.0682066092
|
|
1.45 -0.0019 -109.17169530 -0.0029 -109.17169663 -0.0718920764 -0.0748179337 -0.0712460805 -0.0668244083
|
|
1.50 -0.0020 -109.14760963 -0.0031 -109.14761252 -0.0713835147 -0.0739618298 -0.0698343108 -0.0654596274
|
|
1.55 -0.0022 -109.12484312 -0.0032 -109.12485763 -0.0709295868 -0.0732130732 -0.0684170482 -0.0640876217
|
|
1.60 -0.0024 -109.10371524 -0.0035 -109.10370476 -0.0705211865 -0.0725547646 -0.0669727293 -0.0626892942
|
|
1.65 -0.0019 -109.08439789 -0.0029 -109.08440242 -0.0701500653 -0.0719716141 -0.0654896761 -0.0612549281
|
|
1.70 -0.0025 -109.06701989 -0.0037 -109.06704921 -0.0698088166 -0.0714501361 -0.0639707333 -0.0597885434
|
|
1.75 -0.0024 -109.05167228 -0.0035 -109.05167897 -0.0694911556 -0.0709790830 -0.0624361024 -0.0583104331
|
|
1.80 -0.0022 -109.03831449 -0.0033 -109.03832414 -0.0691918023 -0.0705493059 -0.0609212509 -0.0568550142
|
|
1.85 -0.0042 -109.02693046 -0.0060 -109.02691940 -0.0689076485 -0.0701552180 -0.0594704769 -0.0554645632
|
|
1.90 -0.0024 -109.01721362 -0.0037 -109.01722616 -0.0686377467 -0.0697943914 -0.0581258775 -0.0541787740
|
|
1.95 -0.0026 -109.00922133 -0.0042 -109.00928598 -0.0683838100 -0.0694680739 -0.0569189977 -0.0530269578
|
|
2.00 -0.0027 -109.00267675 -0.0041 -109.00270544 -0.0681492580 -0.0691794886 -0.0558658314 -0.0520235146
|
|
2.05 -0.0027 -108.99735967 -0.0040 -108.99739794 -0.0679384715 -0.0689329182 -0.0549677924 -0.0511690081
|
|
2.10 -0.0030 -108.99317112 -0.0044 -108.99317423 -0.0677559524 -0.0687326155 -0.0542156606 -0.0504540137
|
|
2.15 -0.0029 -108.98975024 -0.0043 -108.98977747 -0.0676053386 -0.0685816116 -0.0535936926 -0.0498630856
|
|
2.20 -0.0047 -108.98712514 -0.0065 -108.98718399 -0.0674899015 -0.0684819063 -0.0530840089 -0.0493788927
|
|
2.25 -0.0044 -108.98494997 -0.0062 -108.98499487 -0.0674119440 -0.0684322931 -0.0526687578 -0.0489842795
|
|
2.30 -0.0043 -108.98330878 -0.0061 -108.98327333 -0.0673727845 -0.0684268945 -0.0523322363 -0.0486642199
|
|
2.35 -0.0038 -108.98185161 -0.0056 -108.98188988 -0.0673712244 -0.0684545648 -0.0520616243 -0.0484064652
|
|
2.40 -0.0041 -108.98084925 -0.0058 -108.98082913 -0.0674022148 -0.0685031718 -0.0518491323 -0.0482033076
|
|
2.45 -0.0032 -108.97983294 -0.0049 -108.97987597 -0.0674572216 -0.0685646289 -0.0516998843 -0.0480564031
|
|
2.50 -0.0039 -108.97917604 -0.0058 -108.97919830 -0.0675262544 -0.0686348463 -0.0516655628 -0.0479831879
|
|
2.55 -0.0034 -108.97848661 -0.0052 -108.97853163 -0.0673966830 -0.0685097856 -0.0514997455 -0.0478366410
|
|
2.60 -0.0035 -108.97799140 -0.0053 -108.97802659 -0.0673690761 -0.0684822961 -0.0514208437 -0.0477500294
|
|
2.65 -0.0038 -108.97753462 -0.0053 -108.97757353 -0.0673363285 -0.0684426742 -0.0513276300 -0.0476681515
|
|
2.70 -0.0052 -108.97718804 -0.0071 -108.97732363 -0.0673750478 -0.0684633036 -0.0513447551 -0.0476464359
|
|
2.75 -0.0036 -108.97695255 -0.0053 -108.97690831 -0.0672618428 -0.0683251107 -0.0512130634 -0.0475572747
|
|
2.80 -0.0036 -108.97656228 -0.0053 -108.97659250 -0.0672344966 -0.0682649726 -0.0512041732 -0.0475346783
|
|
2.85 -0.0047 -108.97640500 -0.0067 -108.97640332 -0.0671714554 -0.0681689603 -0.0511932110 -0.0475130222
|
|
2.90 -0.0035 -108.97616737 -0.0050 -108.97618039 -0.0671174699 -0.0680867053 -0.0512212118 -0.0475155436
|
|
2.95 -0.0037 -108.97589964 -0.0052 -108.97591480 -0.0669483425 -0.0678997901 -0.0511683951 -0.0474732659
|
|
3.00 -0.0039 -108.97586909 -0.0055 -108.97581343 -0.0668180528 -0.0677614577 -0.0511768319 -0.0474557896
|
|
#2 * N -108.9739012 -109.02698261 -109.02004929 -109.02337969 -109.02120186
|
|
|