Input 14-fullerene_unpacked.02-td-unpacked.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184216450128334e+02 |
-3.184216450128310e+02 |
6.500000000000000e-12 |
-2.444267011014745e-12 |
PASS |
| Energy [step 20] |
-3.184094654954631e+02 |
-3.184094654954693e+02 |
1.330000000000000e-11 |
6.252776074688882e-12 |
PASS |
| Multipoles [step 0] |
-1.208828560573805e-03 |
-1.211520628226222e-03 |
8.480000000000000e-06 |
2.692067652417191e-06 |
PASS |
| Multipoles [step 20] |
-2.020307340907640e+00 |
-2.020306920872538e+00 |
6.190000000000000e-07 |
-4.200351018113224e-07 |
PASS |