Input 14-fullerene_unpacked.02-td-unpacked.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184216450128365e+02 |
-3.184216450128310e+02 |
8.130000000000000e-12 |
-5.513811629498377e-12 |
PASS |
| Energy [step 20] |
-3.184094654954716e+02 |
-3.184094654954693e+02 |
3.380000000000000e-11 |
-2.330580173293129e-12 |
PASS |
| Multipoles [step 0] |
-1.208552741608374e-03 |
-1.211520628226222e-03 |
8.480000000000000e-06 |
2.967886617848354e-06 |
PASS |
| Multipoles [step 20] |
-2.020307212071989e+00 |
-2.020306920872538e+00 |
1.600000000000000e-06 |
-2.911994512189153e-07 |
PASS |