Input 14-fullerene_unpacked.03-td-packed.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184216450128282e+02 |
-3.184216450128310e+02 |
6.500000000000000e-12 |
2.842170943040401e-12 |
PASS |
| Energy [step 20] |
-3.184094654954747e+02 |
-3.184094654954693e+02 |
1.330000000000000e-11 |
-5.400124791776761e-12 |
PASS |
| Multipoles [step 0] |
-1.207094722233626e-03 |
-1.211520628226222e-03 |
9.480000000000001e-06 |
4.425905992596008e-06 |
PASS |
| Multipoles [step 20] |
-2.020306603457111e+00 |
-2.020306920872538e+00 |
6.190000000000000e-07 |
3.174154272755914e-07 |
PASS |