srDFT_SC/new/N2_avtz/data/data_DFT_avtz

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2019-10-01 19:13:31 +02:00
# FCI PBE PBEot
1.60 -109.04436903 -0.0408799913 -0.0463357287
1.75 -109.25229745 -0.0377165256 -0.0434681346
1.90 -109.34985796 -0.0351626726 -0.0411273002
2.075 -109.38241351 -0.0328022826 -0.0389282933
2.25 -109.36733223 -0.0309488099 -0.0371619528
2.75 -109.24164328 -0.0272153425 -0.0333863808
3.50 -109.09354538 -0.0224977979 -0.0279058867
4.00 -109.05550914 -0.0206491584 -0.0255122642
5.00 -109.03816099 -0.0195798960 -0.0241058766
7.00 -109.03542786 -0.0195481833 -0.0239790274
10.00 -109.03465301 -0.0195664634 -0.0239936324