Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.351259613523206e+01 |
-1.351259613523188e+01 |
2.520000000000000e-13 |
-1.829647544582258e-13 |
PASS |
| Energy [step 52] |
-1.351221767670785e+01 |
-1.351221767670754e+01 |
4.630000000000000e-13 |
-3.055333763768431e-13 |
PASS |
| Multipoles [step 0] |
1.642603531701195e-16 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.642603531701195e-16 |
PASS |
| Multipoles [step 52] |
-3.817238054777290e-03 |
-3.817238054773396e-03 |
6.510000000000000e-14 |
-3.894454203567932e-15 |
PASS |