Input 14-fullerene_unpacked.02-td-unpacked.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184210032772396e+02 |
-3.184210032771824e+02 |
9.690000000000000e-11 |
-5.718447937397286e-11 |
PASS |
| Energy [step 20] |
-3.184088237669083e+02 |
-3.184088237668212e+02 |
1.100000000000000e-10 |
-8.708411769475788e-11 |
PASS |
| Multipoles [step 0] |
-1.207049217898340e-03 |
-1.211520628226222e-03 |
5.140000000000000e-06 |
4.471410327881948e-06 |
PASS |
| Multipoles [step 20] |
-2.020313260667091e+00 |
-2.020315146839614e+00 |
5.140000000000000e-06 |
1.886172523057894e-06 |
PASS |