Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.351259613523189e+01 |
-1.351259613523188e+01 |
2.520000000000000e-13 |
-8.881784197001252e-15 |
PASS |
| Energy [step 52] |
-1.351221767670753e+01 |
-1.351221767670754e+01 |
4.630000000000000e-13 |
1.065814103640150e-14 |
PASS |
| Multipoles [step 0] |
-2.817326106328578e-16 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.817326106328578e-16 |
PASS |
| Multipoles [step 52] |
-3.817238054769034e-03 |
-3.817238054773396e-03 |
6.510000000000000e-14 |
4.361962180343681e-15 |
PASS |