Input 14-fullerene_unpacked.02-td-unpacked.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184216450128303e+02 |
-3.184216450128310e+02 |
1.570000000000000e-11 |
6.821210263296962e-13 |
PASS |
| Energy [step 20] |
-3.184094654954588e+02 |
-3.184094654954693e+02 |
5.150000000000000e-11 |
1.051603248924948e-11 |
PASS |
| Multipoles [step 0] |
-1.208344166156256e-03 |
-1.211520628226222e-03 |
8.480000000000000e-06 |
3.176462069966407e-06 |
PASS |
| Multipoles [step 20] |
-2.020307143587649e+00 |
-2.020306920872538e+00 |
1.600000000000000e-06 |
-2.227151112421666e-07 |
PASS |