srDFT_SC/new/POUBELLE/H2_avdz/data/data_DFT_avdz
2020-01-27 18:04:38 +01:00

17 lines
902 B
Plaintext

# FCI PBE PBEot
0.8 -0.98774534 -0.0081941322 -0.0089767455 -0.0090298021
0.9 -1.05810703 -0.0075150071 -0.0083645812 -0.0084169712
1 -1.10407481 -0.0068889057 -0.0077975068 -0.0078495602
1.1 -1.13340667 -0.0063147205 -0.0072736506 -0.0073256487
1.2 -1.15117357 -0.0057875741 -0.0067880725 -0.0068401472
1.401 -1.16462274 -0.0048517174 -0.0059105601 -0.0059623503
1.6 -1.16099407 -0.0040734576 -0.0051603302 -0.0052104107
1.8 -1.14878299 -0.0034330116 -0.0045225440 -0.0045695919
2 -1.13258840 -0.0029191049 -0.0039900351 -0.0040334744
2.5 -1.08930646 -0.0020139654 -0.0029726592 -0.0030071934
3 -1.05334365 -0.0013984289 -0.0021907089 -0.0022175781
4 -1.01390052 -0.0005131462 -0.0009294215 -0.0009460712
5 -1.00213136 -0.0001034495 -0.0002462059 -0.0002550347
7 -0.99884042 -0.0000025202 -0.0000119094 -0.0000126823
10 -0.99867607 -0.0000000054 -0.0000000656 -0.0000000771