Input 04-lithium.02-absorbing_boundaries.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
N_electrons [step 0] |
3.000000000000000e+00 |
3.000000000000000e+00 |
2.000000000000000e-07 |
0.000000000000000e+00 |
PASS |
N_electrons [step 500] |
2.926157668947448e+00 |
2.926157647067783e+00 |
1.820000000000000e-07 |
2.187966519073825e-08 |
PASS |
N_electrons [step 1112] |
2.353009932449978e+00 |
2.353010052117660e+00 |
3.500000000000000e-07 |
-1.196676819859022e-07 |
PASS |
norm11 [step 0] |
9.999999999999999e-01 |
1.000000000000000e+00 |
1.300000000000000e-07 |
-1.110223024625157e-16 |
PASS |
norm11 [step 500] |
9.848360694939001e-01 |
9.848360389306172e-01 |
1.300000000000000e-07 |
3.056328290451660e-08 |
PASS |
norm11 [step 1112] |
8.637099760897075e-01 |
8.637099847839140e-01 |
3.000000000000000e-07 |
-8.694206576898011e-09 |
PASS |
norm21 [step 0] |
1.000000000000000e+00 |
1.000000000000000e+00 |
3.000000000000000e-07 |
2.220446049250313e-16 |
PASS |
norm21 [step 500] |
9.923827603110564e-01 |
9.923827888392015e-01 |
3.000000000000000e-07 |
-2.852814506848489e-08 |
PASS |
norm21 [step 1112] |
9.199552860097944e-01 |
9.199554254748805e-01 |
3.000000000000000e-07 |
-1.394650861463731e-07 |
PASS |