Input 14-fullerene_unpacked.03-td-packed.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184210032772428e+02 |
-3.184210032772400e+02 |
1.590000000000000e-10 |
-2.785327524179593e-12 |
PASS |
| Energy [step 20] |
-3.184088237669032e+02 |
-3.184088237668212e+02 |
1.590000000000000e-10 |
-8.196820999728516e-11 |
PASS |
| Multipoles [step 0] |
-1.207181105058616e-03 |
-1.211520628226222e-03 |
5.140000000000000e-06 |
4.339523167605714e-06 |
PASS |
| Multipoles [step 20] |
-2.020313318363822e+00 |
-2.020315146839614e+00 |
5.140000000000000e-06 |
1.828475792109430e-06 |
PASS |