Input 14-fullerene_unpacked.03-td-packed.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-3.184216450128266e+02 |
-3.184216450128310e+02 |
1.570000000000000e-11 |
4.376943252282217e-12 |
PASS |
| Energy [step 20] |
-3.184094654954761e+02 |
-3.184094654954693e+02 |
5.150000000000000e-11 |
-6.764366844436154e-12 |
PASS |
| Multipoles [step 0] |
-1.206899735256034e-03 |
-1.211520628226222e-03 |
9.480000000000001e-06 |
4.620892970187912e-06 |
PASS |
| Multipoles [step 20] |
-2.020306518377901e+00 |
-2.020306920872538e+00 |
1.600000000000000e-06 |
4.024946371750104e-07 |
PASS |