Input 14-fullerene_unpacked.02-td-unpacked.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184216450128284e+02 |
-3.184216450128310e+02 |
1.570000000000000e-11 |
2.557953848736361e-12 |
PASS |
| Energy [step 20] |
-3.184094654954785e+02 |
-3.184094654954693e+02 |
5.150000000000000e-11 |
-9.208633855450898e-12 |
PASS |
| Multipoles [step 0] |
-1.206888301386724e-03 |
-1.211520628226222e-03 |
8.480000000000000e-06 |
4.632326839497597e-06 |
PASS |
| Multipoles [step 20] |
-2.020306513771043e+00 |
-2.020306920872538e+00 |
1.600000000000000e-06 |
4.071014947371054e-07 |
PASS |