srDFT_SC/new/H2_avtz/data/data_DFT_avtzE_tot

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2019-10-21 17:04:57 +02:00
0.8 -1.01572072342 -1.01847221052 -1.01926412892 -1.01927401032 -1.0201
0.9 -1.08017011921 -1.08264088671 -1.08343057031 -1.08344002761 -1.0836
1.0 -1.12167539872 -1.12390452932 -1.12468828062 -1.12469734752 -1.1245
1.1 -1.14761244402 -1.14963041002 -1.15040547462 -1.15041417792 -1.1501
1.2 -1.16277297899 -1.16460521519 -1.16536961889 -1.16537798539 -1.1649
1.401 -1.17263388079 -1.17415768189 -1.17489672059 -1.17490451069 -1.1745
1.6 -1.16692025991 -1.16820657351 -1.16891650891 -1.16892385191 -1.1686
1.8 -1.1535538561 -1.154651028 -1.155328218 -1.1553351161 -1.1551
2.0 -1.13674034524 -1.13768535854 -1.13832805024 -1.13833446354 -1.1381
2.5 -1.09275627514 -1.09342371014 -1.09397538014 -1.09398062684 -1.0939
3.0 -1.05634660301 -1.05679859861 -1.05724419341 -1.05724835071 -1.0573
4.0 -1.01576691073 -1.01590382043 -1.01611496473 -1.01611727613 -1.0164
5.0 -1.00332750483 -1.00335474603 -1.00342382553 -1.00342498733 -1.0038
7.0 -0.999827162 -0.9998279024 -0.9998328318 -0.99983306 -1.0002
10.0 -0.999650454347 -0.999650456147 -0.999650504047 -0.999650511047 -1.0