Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.351387940465795e+01 |
-1.351387940465781e+01 |
5.000000000000000e-13 |
-1.421085471520200e-13 |
PASS |
| Energy [step 52] |
-1.351350086579671e+01 |
-1.351350086579652e+01 |
5.000000000000000e-13 |
-1.847411112976260e-13 |
PASS |
| Multipoles [step 0] |
-3.466614923751594e-16 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.466614923751594e-16 |
PASS |
| Multipoles [step 52] |
-3.793333093257105e-03 |
-3.793333093268998e-03 |
1.000000000000000e-13 |
1.189326415129699e-14 |
PASS |