srDFT_SC/new/H2_avtz/plots/data_DFT_full_avtzE_tot_full
2019-10-21 17:04:57 +02:00

16 lines
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0.8 -1.01572072342 -1.01751808742 -1.01800672112 -1.01803247272 -1.0201
0.9 -1.08017011921 -1.08174986421 -1.08222787771 -1.08225003271 -1.0836
1.0 -1.12167539872 -1.12307203552 -1.12353783242 -1.12355710542 -1.1245
1.1 -1.14761244402 -1.14885277312 -1.14930538702 -1.14932230972 -1.1501
1.2 -1.16277297899 -1.16387889169 -1.16431788689 -1.16433287929 -1.1649
1.401 -1.17263388079 -1.17352350149 -1.17393524659 -1.17394734229 -1.1745
1.6 -1.16692025991 -1.16765057991 -1.16803619261 -1.16804633581 -1.1686
1.8 -1.1535538561 -1.1541636045 -1.1545238663 -1.1545326134 -1.1551
2.0 -1.13674034524 -1.13725848574 -1.13759504084 -1.13760276754 -1.1381
2.5 -1.09275627514 -1.09312240234 -1.09340608164 -1.09341214074 -1.0939
3.0 -1.05634660301 -1.05660227941 -1.05683117151 -1.05683580721 -1.0573
4.0 -1.01576691073 -1.01584915613 -1.01595935223 -1.01596133863 -1.0164
5.0 -1.00332750483 -1.00334420963 -1.00338153743 -1.00338230573 -1.0038
7.0 -0.999827162 -0.9998276672 -0.9998309248 -0.9998311249 -1.0002
10.0 -0.999650454347 -0.999650455547 -0.999650499347 -0.999650506047 -1.0