Input 14-fullerene_unpacked.03-td-packed.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 0] |
-3.184210032772402e+02 |
-3.184210032772400e+02 |
1.590000000000000e-10 |
-1.705302565824240e-13 |
PASS |
Energy [step 20] |
-3.184088237669046e+02 |
-3.184088237668212e+02 |
1.590000000000000e-10 |
-8.333245204994455e-11 |
PASS |
Multipoles [step 0] |
-1.207231858883440e-03 |
-1.211520628226222e-03 |
5.140000000000000e-06 |
4.288769342782267e-06 |
PASS |
Multipoles [step 20] |
-2.020313340783239e+00 |
-2.020315146839614e+00 |
5.140000000000000e-06 |
1.806056375563969e-06 |
PASS |