Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 83] |
-1.351350309405801e+01 |
-1.351350309405791e+01 |
3.000000000000000e-13 |
-1.012523398458143e-13 |
PASS |
Energy [step 103] |
-1.351351009473390e+01 |
-1.351351009473370e+01 |
4.500000000000000e-13 |
-1.989519660128281e-13 |
PASS |
Multipoles [step 83] |
6.218975444126398e-04 |
6.218975443429170e-04 |
3.000000000000000e-13 |
6.972276488798057e-14 |
PASS |
Multipoles [step 103] |
3.990050594295243e-03 |
3.990050594276555e-03 |
3.000000000000000e-13 |
1.868817600669814e-14 |
PASS |