Input 14-fullerene_unpacked.03-td-packed.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184210032772406e+02 |
-3.184210032772400e+02 |
1.590000000000000e-10 |
-6.252776074688882e-13 |
PASS |
| Energy [step 20] |
-3.184088237669014e+02 |
-3.184088237668212e+02 |
1.590000000000000e-10 |
-8.014922059373930e-11 |
PASS |
| Multipoles [step 0] |
-1.207454333974664e-03 |
-1.211520628226222e-03 |
5.140000000000000e-06 |
4.066294251557851e-06 |
PASS |
| Multipoles [step 20] |
-2.020313437740795e+00 |
-2.020315146839614e+00 |
5.140000000000000e-06 |
1.709098819802080e-06 |
PASS |