srDFT_SC/new/H2_avdz/data/data_DFT_full_avdzE_tot_full

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2019-10-21 17:04:57 +02:00
0.8 -0.98774534 -0.9942939588 -0.9948345266 -0.9949708268 -0.99497868829 -1.0201
0.9 -1.05810703 -1.0639973324 -1.0645873921 -1.0647138362 -1.06438151294 -1.0836
1.0 -1.10407481 -1.1093712623 -1.1100035405 -1.1101208456 -1.11019107846 -1.1245
1.1 -1.13340667 -1.1381717283 -1.1388386892 -1.1389476904 -1.13890392483 -1.1501
1.2 -1.15117357 -1.1554640232 -1.1561583511 -1.1562598504 -1.15627953316 -1.1649
1.401 -1.16462274 -1.1681065282 -1.1688360932 -1.1689245105 -1.1693728197 -1.1745
1.6 -1.16099407 -1.1638455153 -1.164588621 -1.1646661521 -1.16472381102 -1.1686
1.8 -1.14878299 -1.1511444972 -1.151884962 -1.1519533222 -1.15208867549 -1.1551
2.0 -1.1325884 -1.1345825159 -1.1353082163 -1.135368985 -1.13524100558 -1.1381
2.5 -1.08930646 -1.0907257661 -1.0913799209 -1.0914261732 -1.09224653401 -1.0939
3.0 -1.05334365 -1.0544117674 -1.0549633659 -1.0549974243 -1.05563277862 -1.0573
4.0 -1.01390052 -1.0143383481 -1.0146470853 -1.0146634929 -1.01500057814 -1.0164
5.0 -1.00213136 -1.0022153184 -1.0023237022 -1.0023312671 -1.00324150437 -1.0038
7.0 -0.99884042 -0.9988424395 -0.9988494451 -0.9988500945 -0.998974514693 -1.0002
10.0 -0.99867607 -0.9986760747 -0.9986761332 -0.9986761446 -0.998754825312 -1.0