Input 14-fullerene_unpacked.02-td-unpacked.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184216450128265e+02 |
-3.184216450128310e+02 |
8.130000000000000e-12 |
4.490630090003833e-12 |
PASS |
| Energy [step 20] |
-3.184094654954722e+02 |
-3.184094654954693e+02 |
3.380000000000000e-11 |
-2.899014361901209e-12 |
PASS |
| Multipoles [step 0] |
-1.207307595008644e-03 |
-1.211520628226222e-03 |
8.480000000000000e-06 |
4.213033217577650e-06 |
PASS |
| Multipoles [step 20] |
-2.020306696595484e+00 |
-2.020306920872538e+00 |
1.600000000000000e-06 |
2.242770542615347e-07 |
PASS |