Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.351387940465787e+01 |
-1.351387940465781e+01 |
5.000000000000000e-13 |
-6.039613253960852e-14 |
PASS |
| Energy [step 52] |
-1.351350086579660e+01 |
-1.351350086579652e+01 |
5.000000000000000e-13 |
-7.993605777301127e-14 |
PASS |
| Multipoles [step 0] |
1.900924004176291e-16 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.900924004176291e-16 |
PASS |
| Multipoles [step 52] |
-3.793333093336217e-03 |
-3.793333093268998e-03 |
1.000000000000000e-13 |
-6.721879997062530e-14 |
PASS |