srDFT_SC/new/N2_avdz/data/data_DFT_avdz

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2019-10-01 19:13:31 +02:00
# FCI PBE PBEot
2019-10-17 18:30:43 +02:00
1.60 -108.90123829 -0.0980720252 -0.0984225573 -0.0988532949
1.75 -109.13635522 -0.0915119507 -0.0927824178 -0.0932313955
1.90 -109.25124553 -0.0858186379 -0.0878856728 -0.0883534665
2.075 -109.29580135 -0.0802477728 -0.0830724059 -0.0835669066
2.25 -109.28744377 -0.0756736409 -0.0790787372 -0.0796086764
2.75 -109.16912310 -0.0661057365 -0.0703936611 -0.0710974928
3.50 -109.02664555 -0.0540146045 -0.0582581596 -0.0594108177
4.00 -108.99200917 -0.0487076337 -0.0526534312 -0.0539941785
5.00 -108.97820797 -0.0463179615 -0.0498557289 -0.0513248532
7.00 -108.97504627 -0.0459557617 -0.0493998381 -0.0508584411
10.00 -108.97441343 -0.0460093256 -0.0494381977 -0.0509004383
2019-10-01 19:13:31 +02:00