Input 14-fullerene_unpacked.02-td-unpacked.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184216450128337e+02 |
-3.184216450128310e+02 |
6.500000000000000e-12 |
-2.671640686457977e-12 |
PASS |
| Energy [step 20] |
-3.184094654954735e+02 |
-3.184094654954693e+02 |
1.330000000000000e-11 |
-4.149569576838985e-12 |
PASS |
| Multipoles [step 0] |
-1.207151986041960e-03 |
-1.211520628226222e-03 |
8.480000000000000e-06 |
4.368642184261968e-06 |
PASS |
| Multipoles [step 20] |
-2.020306628727188e+00 |
-2.020306920872538e+00 |
6.190000000000000e-07 |
2.921453496895765e-07 |
PASS |