Input 14-fullerene_unpacked.03-td-packed.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184210032772431e+02 |
-3.184210032772400e+02 |
1.590000000000000e-10 |
-3.126388037344441e-12 |
PASS |
| Energy [step 20] |
-3.184088237668943e+02 |
-3.184088237668212e+02 |
1.590000000000000e-10 |
-7.304379323613830e-11 |
PASS |
| Multipoles [step 0] |
-1.208122922868246e-03 |
-1.211520628226222e-03 |
5.140000000000000e-06 |
3.397705357975839e-06 |
PASS |
| Multipoles [step 20] |
-2.020313722543007e+00 |
-2.020315146839614e+00 |
5.140000000000000e-06 |
1.424296607765996e-06 |
PASS |