Input 14-fullerene_unpacked.02-td-unpacked.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184216450128282e+02 |
-3.184216450128310e+02 |
1.570000000000000e-11 |
2.842170943040401e-12 |
PASS |
| Energy [step 20] |
-3.184094654954760e+02 |
-3.184094654954693e+02 |
5.150000000000000e-11 |
-6.650680006714538e-12 |
PASS |
| Multipoles [step 0] |
-1.207088677153800e-03 |
-1.211520628226222e-03 |
8.480000000000000e-06 |
4.431951072421609e-06 |
PASS |
| Multipoles [step 20] |
-2.020306601392176e+00 |
-2.020306920872538e+00 |
1.600000000000000e-06 |
3.194803621653364e-07 |
PASS |