srDFT_SC/new/H2_avdz/data/data_DFT_full_avdzE_relat_full
2019-10-21 17:04:57 +02:00

16 lines
1.3 KiB
Plaintext

0.8 0.01093073 0.0043821159 0.0038416066 0.0037053178 0.00377613702186 -0.0201
0.9 -0.05943096 -0.0653212577 -0.0659112589 -0.0660376916 -0.0656266876277 -0.0836
1.0 -0.10539874 -0.1106951876 -0.1113274073 -0.111444701 -0.11143625315 -0.1245
1.1 -0.1347306 -0.1394956536 -0.140162556 -0.1402715458 -0.140149099513 -0.1501
1.2 -0.1524975 -0.1567879485 -0.1574822179 -0.1575837058 -0.157524707847 -0.1649
1.401 -0.16594667 -0.1694304535 -0.17015996 -0.1702483659 -0.170617994389 -0.1745
1.6 -0.162318 -0.1651694406 -0.1659124878 -0.1659900075 -0.16596898571 -0.1686
1.8 -0.15010692 -0.1524684225 -0.1532088288 -0.1532771776 -0.153333850174 -0.1551
2.0 -0.13391233 -0.1359064412 -0.1366320831 -0.1366928404 -0.136486180264 -0.1381
2.5 -0.09063039 -0.0920496914 -0.0927037877 -0.0927500286 -0.0934917086976 -0.0939
3.0 -0.05466758 -0.0557356927 -0.0562872327 -0.0563212797 -0.0568779533104 -0.0573
4.0 -0.01522445 -0.0156622734 -0.0159709521 -0.0159873483 -0.0162457528254 -0.0164
5.0 -0.00345529 -0.0035392437 -0.003647569 -0.0036551225 -0.00448667906022 -0.0038
7.0 -0.00016435 -0.0001663648 -0.0001733119 -0.0001739499 -0.000219689381524 -0.0002
10.0 0.0 5.52094660542e-17 -1.11432345818e-17 4.48172676279e-17 0.0 0.0