Input 14-fullerene_unpacked.03-td-packed.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184216450128288e+02 |
-3.184216450128310e+02 |
6.500000000000000e-12 |
2.216893335571513e-12 |
PASS |
| Energy [step 20] |
-3.184094654954762e+02 |
-3.184094654954693e+02 |
1.330000000000000e-11 |
-6.934897101018578e-12 |
PASS |
| Multipoles [step 0] |
-1.206934788577724e-03 |
-1.211520628226222e-03 |
9.480000000000001e-06 |
4.585839648498175e-06 |
PASS |
| Multipoles [step 20] |
-2.020306533537153e+00 |
-2.020306920872538e+00 |
6.190000000000000e-07 |
3.873353850991634e-07 |
PASS |