srDFT_SC/new/H2_avtz/data/data_DFT_avtzE_relat

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2019-10-21 17:04:57 +02:00
0.8 -0.0160702690753 -0.0188217543753 -0.0196136248753 -0.0196234992753 -0.0201
0.9 -0.0805196648653 -0.0829904305653 -0.0837800662653 -0.0837895165653 -0.0836
1.0 -0.122024944373 -0.124254073173 -0.125037776573 -0.125046836473 -0.1245
1.1 -0.147961989674 -0.149979953874 -0.150754970574 -0.150763666874 -0.1501
1.2 -0.163122524641 -0.164954759041 -0.165719114841 -0.165727474341 -0.1649
1.401 -0.172983426439 -0.174507225739 -0.175246216539 -0.175253999639 -0.1745
1.6 -0.16726980556 -0.16855611736 -0.16926600486 -0.16927334086 -0.1686
1.8 -0.153903401754 -0.155000571854 -0.155677713954 -0.155684605054 -0.1551
2.0 -0.137089890888 -0.138034902388 -0.138677546188 -0.138683952488 -0.1381
2.5 -0.0931058207925 -0.0937732539925 -0.0943248760925 -0.0943301157925 -0.0939
3.0 -0.0566961486663 -0.0571481424663 -0.0575936893663 -0.0575978396663 -0.0573
4.0 -0.0161164563878 -0.0162533642878 -0.0164644606878 -0.0164667650878 -0.0164
5.0 -0.0036770504789 -0.0037042898789 -0.0037733214789 -0.0037744762789 -0.0038
7.0 -0.000176707652469 -0.000177446252469 -0.000182327752469 -0.000182548952469 -0.0002
10.0 0.0 -3.79103653478e-17 -4.3712458732e-18 -2.84423340474e-17 0.0