Input 14-fullerene_unpacked.03-td-packed.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184216450128322e+02 |
-3.184216450128310e+02 |
1.570000000000000e-11 |
-1.193711796076968e-12 |
PASS |
| Energy [step 20] |
-3.184094654954642e+02 |
-3.184094654954693e+02 |
5.150000000000000e-11 |
5.059064278611913e-12 |
PASS |
| Multipoles [step 0] |
-1.207707730124394e-03 |
-1.211520628226222e-03 |
9.480000000000001e-06 |
3.812898101828105e-06 |
PASS |
| Multipoles [step 20] |
-2.020306870531123e+00 |
-2.020306920872538e+00 |
1.600000000000000e-06 |
5.034141459248076e-08 |
PASS |