Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 83] |
-1.351350309405809e+01 |
-1.351350309405791e+01 |
3.000000000000000e-13 |
-1.847411112976260e-13 |
PASS |
| Energy [step 103] |
-1.351351009473387e+01 |
-1.351351009473370e+01 |
4.500000000000000e-13 |
-1.652011860642233e-13 |
PASS |
| Multipoles [step 83] |
6.218975444994013e-04 |
6.218975443429170e-04 |
3.000000000000000e-13 |
1.564843090176571e-13 |
PASS |
| Multipoles [step 103] |
3.990050594408761e-03 |
3.990050594276555e-03 |
3.000000000000000e-13 |
1.322058781894064e-13 |
PASS |