Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 83] |
-1.351221987619874e+01 |
-1.351221987619888e+01 |
3.010000000000000e-13 |
1.403321903126198e-13 |
PASS |
| Energy [step 103] |
-1.351222686779586e+01 |
-1.351222686779602e+01 |
3.420000000000000e-13 |
1.616484723854228e-13 |
PASS |
| Multipoles [step 83] |
5.517961619174025e-04 |
5.517961618275108e-04 |
1.210000000000000e-13 |
8.989163580164217e-14 |
PASS |
| Multipoles [step 103] |
3.943654428805159e-03 |
3.943654428877074e-03 |
2.080000000000000e-13 |
-7.191469642009451e-14 |
PASS |