13 lines
875 B
Plaintext
13 lines
875 B
Plaintext
|
# CAS LDA PBE PBEot PBEot/n
|
||
|
|
1.0 -4.2425957670153380 -0.1137698788 -0.1202856883 -0.1118843538 -0.0965045752
|
||
|
|
1.2 -4.9746328909651361 -0.1113160969 -0.1163816716 -0.1072229137 -0.0916199913
|
||
|
|
1.4 -5.3298368240091651 -0.1082652432 -0.1123882038 -0.1018867173 -0.0863346699
|
||
|
|
1.6 -5.4827623899041473 -0.1050104754 -0.1074253021 -0.0956321641 -0.0804877599
|
||
|
|
1.8 -5.5271110505269334 -0.1020660678 -0.1025178443 -0.0892685613 -0.0746059578
|
||
|
|
2.0 -5.5134099285221101 -0.0994362928 -0.0979165095 -0.0828921994 -0.0687915085
|
||
|
|
2.4 -5.4125543958975424 -0.0949528957 -0.0896663462 -0.0698508812 -0.0572121124
|
||
|
|
2.8 -5.2914087272834474 -0.0912121333 -0.0824173326 -0.0561621611 -0.0454997207
|
||
|
|
3.2 -5.1881474059048651 -0.0878387099 -0.0758404469 -0.0423044076 -0.0339424629
|
||
|
|
3.6 -5.1130559517835028 -0.0844388362 -0.0696878538 -0.0296162681 -0.0234514311
|
||
|
|
|