Input 14-fullerene_unpacked.03-td-packed.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184216450128308e+02 |
-3.184216450128310e+02 |
8.130000000000000e-12 |
1.705302565824240e-13 |
PASS |
| Energy [step 20] |
-3.184094654954758e+02 |
-3.184094654954693e+02 |
3.380000000000000e-11 |
-6.480149750132114e-12 |
PASS |
| Multipoles [step 0] |
-1.207124835807719e-03 |
-1.211520628226222e-03 |
9.480000000000001e-06 |
4.395792418503347e-06 |
PASS |
| Multipoles [step 20] |
-2.020306616662011e+00 |
-2.020306920872538e+00 |
1.600000000000000e-06 |
3.042105269912554e-07 |
PASS |