Input 14-fullerene_unpacked.03-td-packed.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184216450128318e+02 |
-3.184216450128310e+02 |
8.130000000000000e-12 |
-8.526512829121202e-13 |
PASS |
| Energy [step 20] |
-3.184094654954658e+02 |
-3.184094654954693e+02 |
3.380000000000000e-11 |
3.467448550509289e-12 |
PASS |
| Multipoles [step 0] |
-1.207680163763686e-03 |
-1.211520628226222e-03 |
9.480000000000001e-06 |
3.840464462536103e-06 |
PASS |
| Multipoles [step 20] |
-2.020306858615177e+00 |
-2.020306920872538e+00 |
1.600000000000000e-06 |
6.225736060017084e-08 |
PASS |