Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.351259613523190e+01 |
-1.351259613523188e+01 |
2.520000000000000e-13 |
-1.776356839400250e-14 |
PASS |
| Energy [step 52] |
-1.351221767670750e+01 |
-1.351221767670754e+01 |
4.630000000000000e-13 |
4.085620730620576e-14 |
PASS |
| Multipoles [step 0] |
-4.736756813735615e-16 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.736756813735615e-16 |
PASS |
| Multipoles [step 52] |
-3.817238054787853e-03 |
-3.817238054773396e-03 |
6.510000000000000e-14 |
-1.445718544879071e-14 |
PASS |