Input 14-fullerene_unpacked.03-td-packed.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184216450128284e+02 |
-3.184216450128310e+02 |
1.570000000000000e-11 |
2.557953848736361e-12 |
PASS |
| Energy [step 20] |
-3.184094654954784e+02 |
-3.184094654954693e+02 |
5.150000000000000e-11 |
-9.094947017729282e-12 |
PASS |
| Multipoles [step 0] |
-1.206913852349098e-03 |
-1.211520628226222e-03 |
9.480000000000001e-06 |
4.606775877123931e-06 |
PASS |
| Multipoles [step 20] |
-2.020306524923348e+00 |
-2.020306920872538e+00 |
1.600000000000000e-06 |
3.959491898797296e-07 |
PASS |