Input 14-fullerene_unpacked.03-td-packed.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184216450128279e+02 |
-3.184216450128310e+02 |
1.570000000000000e-11 |
3.126388037344441e-12 |
PASS |
| Energy [step 20] |
-3.184094654954766e+02 |
-3.184094654954693e+02 |
5.150000000000000e-11 |
-7.332801033044234e-12 |
PASS |
| Multipoles [step 0] |
-1.207029917823219e-03 |
-1.211520628226222e-03 |
9.480000000000001e-06 |
4.490710403003357e-06 |
PASS |
| Multipoles [step 20] |
-2.020306575067468e+00 |
-2.020306920872538e+00 |
1.600000000000000e-06 |
3.458050699123305e-07 |
PASS |