Input 14-fullerene_unpacked.03-td-packed.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 0] |
-3.184210032772419e+02 |
-3.184210032772400e+02 |
1.590000000000000e-10 |
-1.932676241267473e-12 |
PASS |
Energy [step 20] |
-3.184088237669081e+02 |
-3.184088237668212e+02 |
1.590000000000000e-10 |
-8.691358743817545e-11 |
PASS |
Multipoles [step 0] |
-1.207134524355849e-03 |
-1.211520628226222e-03 |
5.140000000000000e-06 |
4.386103870372910e-06 |
PASS |
Multipoles [step 20] |
-2.020313298178169e+00 |
-2.020315146839614e+00 |
5.140000000000000e-06 |
1.848661445702504e-06 |
PASS |