srDFT_SC/new/N2_avtz/data/data_DFT_avtzE_relat

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2019-11-20 15:52:45 +01:00
1.6 -0.00971602 -0.0309884756 -0.0319778374 -0.0317220058 -0.0269
1.75 -0.21764444 -0.2357417948 -0.2370253507 -0.2367714939 -0.2418
1.9 -0.31520495 -0.3307322028 -0.3322277654 -0.3319772766 -0.3362
2.075 -0.3477605 -0.3609089407 -0.3625657142 -0.3623208529 -0.3642
2.25 -0.33267922 -0.3439633368 -0.345708537 -0.3454712715 -0.3458
2.75 -0.20699027 -0.214591965 -0.2163182446 -0.216116718 -0.2177
3.5 -0.05889237 -0.0619612244 -0.0629946781 -0.0628954344 -0.0759
4.0 -0.02085613 -0.0219313626 -0.0223895829 -0.022361565 -0.0353
5.0 -0.00350797999999 -0.00398830929999 -0.00407075819999 -0.0043937342 -0.00830000000001
7.0 -0.000774849999999 -0.000865850199995 -0.000839063200006 -0.000856968799998 -0.000600000000006
10.0 0.0 5.65519853168e-15 -1.60635393875e-15 -4.13558076673e-15 0.0