Input 14-fullerene_unpacked.03-td-packed.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184216450128315e+02 |
-3.184216450128310e+02 |
6.500000000000000e-12 |
-5.115907697472721e-13 |
PASS |
| Energy [step 20] |
-3.184094654954681e+02 |
-3.184094654954693e+02 |
1.330000000000000e-11 |
1.250555214937776e-12 |
PASS |
| Multipoles [step 0] |
-1.207241441623083e-03 |
-1.211520628226222e-03 |
9.480000000000001e-06 |
4.279186603138802e-06 |
PASS |
| Multipoles [step 20] |
-2.020306668252122e+00 |
-2.020306920872538e+00 |
6.190000000000000e-07 |
2.526204161412693e-07 |
PASS |