srDFT_SC/new/H10_vqz/data/data_DFT_vqz

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2019-10-02 18:43:27 +02:00
# FCI PBE PBEot
2019-10-17 18:30:43 +02:00
1.4 -5.48548 -0.0040096950 -0.0065932498 -0.0066025212
1.6 -5.62710 -0.0033374599 -0.0058045806 -0.0058138400
1.8 -5.66068 -0.0028473947 -0.0052264687 -0.0052359928
2.0 -5.63645 -0.0024885900 -0.0048017395 -0.0048118033
2.4 -5.51426 -0.0019687009 -0.0041521095 -0.0041637787
2.8 -5.37099 -0.0015433365 -0.0035380538 -0.0035516762
3.2 -5.24586 -0.0011724561 -0.0029176994 -0.0029332224
3.6 -5.15150 -0.0008546062 -0.0023111603 -0.0023280796
100.0 -4.999455685829862 0. 0. 0.