Input 14-fullerene_unpacked.02-td-unpacked.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184210032772429e+02 |
-3.184210032771824e+02 |
9.690000000000000e-11 |
-6.048139766789973e-11 |
PASS |
| Energy [step 20] |
-3.184088237669037e+02 |
-3.184088237668212e+02 |
1.100000000000000e-10 |
-8.242295734817162e-11 |
PASS |
| Multipoles [step 0] |
-1.207412713884401e-03 |
-1.211520628226222e-03 |
5.140000000000000e-06 |
4.107914341820946e-06 |
PASS |
| Multipoles [step 20] |
-2.020313419785078e+00 |
-2.020315146839614e+00 |
5.140000000000000e-06 |
1.727054536715400e-06 |
PASS |