Input 14-fullerene_unpacked.02-td-unpacked.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184216450128288e+02 |
-3.184216450128310e+02 |
1.570000000000000e-11 |
2.216893335571513e-12 |
PASS |
| Energy [step 20] |
-3.184094654954791e+02 |
-3.184094654954693e+02 |
5.150000000000000e-11 |
-9.833911462919787e-12 |
PASS |
| Multipoles [step 0] |
-1.206837421170975e-03 |
-1.211520628226222e-03 |
8.480000000000000e-06 |
4.683207055246547e-06 |
PASS |
| Multipoles [step 20] |
-2.020306491230630e+00 |
-2.020306920872538e+00 |
1.600000000000000e-06 |
4.296419078286817e-07 |
PASS |