Input 14-fullerene_unpacked.02-td-unpacked.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 0] |
-3.184210032772408e+02 |
-3.184210032771824e+02 |
9.690000000000000e-11 |
-5.837819117004983e-11 |
PASS |
Energy [step 20] |
-3.184088237669064e+02 |
-3.184088237668212e+02 |
1.100000000000000e-10 |
-8.515144145349041e-11 |
PASS |
Multipoles [step 0] |
-1.207065687326661e-03 |
-1.211520628226222e-03 |
5.140000000000000e-06 |
4.454940899560828e-06 |
PASS |
Multipoles [step 20] |
-2.020313267860742e+00 |
-2.020315146839614e+00 |
5.140000000000000e-06 |
1.878978872049686e-06 |
PASS |