Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 83] |
-1.351221987619883e+01 |
-1.351221987619888e+01 |
3.010000000000000e-13 |
5.329070518200751e-14 |
PASS |
| Energy [step 103] |
-1.351222686779610e+01 |
-1.351222686779602e+01 |
3.420000000000000e-13 |
-7.993605777301127e-14 |
PASS |
| Multipoles [step 83] |
5.517961618434159e-04 |
5.517961618275108e-04 |
1.210000000000000e-13 |
1.590502902992785e-14 |
PASS |
| Multipoles [step 103] |
3.943654428729250e-03 |
3.943654428877074e-03 |
2.080000000000000e-13 |
-1.478244610053636e-13 |
PASS |