Input 14-fullerene_unpacked.02-td-unpacked.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184210032772393e+02 |
-3.184210032771824e+02 |
9.690000000000000e-11 |
-5.684341886080801e-11 |
PASS |
| Energy [step 20] |
-3.184088237669038e+02 |
-3.184088237668212e+02 |
1.100000000000000e-10 |
-8.253664418589324e-11 |
PASS |
| Multipoles [step 0] |
-1.207369197982824e-03 |
-1.211520628226222e-03 |
5.140000000000000e-06 |
4.151430243397531e-06 |
PASS |
| Multipoles [step 20] |
-2.020313398494782e+00 |
-2.020315146839614e+00 |
5.140000000000000e-06 |
1.748344832463999e-06 |
PASS |