srDFT_SC/new/N2_avtz/plots/data_DFT_avtzE_relat

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2019-10-17 18:30:43 +02:00
1.6 -0.00971602 -0.0310294878 -0.0320580505 -0.0317933224 -0.0269
1.75 -0.21764444 -0.2357944407 -0.2371188882 -0.2368544748 -0.2418
1.9 -0.31520495 -0.3308011863 -0.3323386367 -0.3320762073 -0.3362
2.075 -0.3477605 -0.3609962902 -0.3626951327 -0.3624372152 -0.3642
2.25 -0.33267922 -0.3440615563 -0.34584752 -0.3455967887 -0.3458
2.75 -0.20699027 -0.214639051 -0.2163829151 -0.2161721328 -0.2177
3.5 -0.05889237 -0.0618237011 -0.0628046169 -0.0627082036 -0.0759
4.0 -0.02085613 -0.0219388204 -0.022374748 -0.0223980378 -0.0353
5.0 -0.00350797999999 -0.00352139959999 -0.0036202046 -0.00361159679999 -0.00830000000001
7.0 -0.000774849999999 -0.000756564699996 -0.000760236499998 -0.000759579600005 -0.000600000000006
10.0 0.0 1.48839274239e-15 1.63410951437e-15 -4.60048665829e-15 0.0