Input 14-fullerene_unpacked.03-td-packed.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184216450128276e+02 |
-3.184216450128310e+02 |
6.500000000000000e-12 |
3.353761712787673e-12 |
PASS |
| Energy [step 20] |
-3.184094654954753e+02 |
-3.184094654954693e+02 |
1.330000000000000e-11 |
-5.968558980384842e-12 |
PASS |
| Multipoles [step 0] |
-1.206881888126801e-03 |
-1.211520628226222e-03 |
9.480000000000001e-06 |
4.638740099420719e-06 |
PASS |
| Multipoles [step 20] |
-2.020306510775961e+00 |
-2.020306920872538e+00 |
6.190000000000000e-07 |
4.100965771414167e-07 |
PASS |