Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 0] |
-1.351259613523185e+01 |
-1.351259613523188e+01 |
2.520000000000000e-13 |
3.197442310920451e-14 |
PASS |
Energy [step 52] |
-1.351221767670747e+01 |
-1.351221767670754e+01 |
4.630000000000000e-13 |
6.750155989720952e-14 |
PASS |
Multipoles [step 0] |
-1.670567872304054e-16 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.670567872304054e-16 |
PASS |
Multipoles [step 52] |
-3.817238054714397e-03 |
-3.817238054777976e-03 |
6.990000000000000e-14 |
6.357935011802596e-14 |
PASS |