Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 83] |
-1.351350309405800e+01 |
-1.351350309405791e+01 |
3.000000000000000e-13 |
-8.526512829121202e-14 |
PASS |
Energy [step 103] |
-1.351351009473388e+01 |
-1.351351009473370e+01 |
4.500000000000000e-13 |
-1.811883976188255e-13 |
PASS |
Multipoles [step 83] |
6.218975444279997e-04 |
6.218975443429170e-04 |
3.000000000000000e-13 |
8.508265706558271e-14 |
PASS |
Multipoles [step 103] |
3.990050594306661e-03 |
3.990050594276555e-03 |
3.000000000000000e-13 |
3.010525856383950e-14 |
PASS |