srDFT_SC/new/F2_avdz/data/data_DFT_avdz

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2019-10-01 19:13:31 +02:00
# FCI PBE PBEot
2.30 -199.10643468 -0.1630877166 -0.1615842427
2.50 -199.13977947 -0.1599892669 -0.1587611413
2.725 -199.15003555 -0.1572194569 -0.1562058698
3.00 -199.14482963 -0.1547951569 -0.1539217987
3.50 -199.12407736 -0.1526552552 -0.1517615797
4.00 -199.11028294 -0.1521584615 -0.1511168954
5.00 -199.10187328 -0.1521919623 -0.1509864025
7.00 -199.10189097 -0.1522896483 -0.1510342750
10.0 -199.10083986 -0.1523534786 -0.1510886493