Input 04-lithium.02-absorbing_boundaries.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
N_electrons [step 0] |
2.999999999999999e+00 |
3.000000000000000e+00 |
2.000000000000000e-07 |
-1.332267629550188e-15 |
PASS |
N_electrons [step 500] |
2.926157688443404e+00 |
2.926157647067783e+00 |
1.820000000000000e-07 |
4.137562070738454e-08 |
PASS |
N_electrons [step 1112] |
2.353009983288271e+00 |
2.353010052117660e+00 |
3.060000000000000e-07 |
-6.882938841101804e-08 |
PASS |
norm11 [step 0] |
9.999999999999999e-01 |
1.000000000000000e+00 |
1.300000000000000e-07 |
-1.110223024625157e-16 |
PASS |
norm11 [step 500] |
9.848360574098153e-01 |
9.848360389306172e-01 |
1.300000000000000e-07 |
1.847919806063913e-08 |
PASS |
norm11 [step 1112] |
8.637099671440611e-01 |
8.637099847839140e-01 |
1.300000000000000e-07 |
-1.763985291169945e-08 |
PASS |
norm21 [step 0] |
9.999999999999998e-01 |
1.000000000000000e+00 |
1.300000000000000e-07 |
-2.220446049250313e-16 |
PASS |
norm21 [step 500] |
9.923827947379604e-01 |
9.923827888392015e-01 |
1.300000000000000e-07 |
5.898758925759751e-09 |
PASS |
norm21 [step 1112] |
9.199553781516878e-01 |
9.199554254748805e-01 |
3.000000000000000e-07 |
-4.732319269784568e-08 |
PASS |