Input 14-fullerene_unpacked.03-td-packed.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184216450128254e+02 |
-3.184216450128310e+02 |
1.570000000000000e-11 |
5.627498467219993e-12 |
PASS |
| Energy [step 20] |
-3.184094654954800e+02 |
-3.184094654954693e+02 |
5.150000000000000e-11 |
-1.074340616469271e-11 |
PASS |
| Multipoles [step 0] |
-1.206863687995538e-03 |
-1.211520628226222e-03 |
9.480000000000001e-06 |
4.656940230683910e-06 |
PASS |
| Multipoles [step 20] |
-2.020306502635514e+00 |
-2.020306920872538e+00 |
1.600000000000000e-06 |
4.182370236804900e-07 |
PASS |