Input 14-fullerene_unpacked.02-td-unpacked.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184216450128265e+02 |
-3.184216450128310e+02 |
8.130000000000000e-12 |
4.490630090003833e-12 |
PASS |
| Energy [step 20] |
-3.184094654954738e+02 |
-3.184094654954693e+02 |
3.380000000000000e-11 |
-4.490630090003833e-12 |
PASS |
| Multipoles [step 0] |
-1.207063797924138e-03 |
-1.211520628226222e-03 |
8.480000000000000e-06 |
4.456830302084153e-06 |
PASS |
| Multipoles [step 20] |
-2.020306588622871e+00 |
-2.020306920872538e+00 |
1.600000000000000e-06 |
3.322496664459607e-07 |
PASS |