Input 32-photodoping.01-gs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Total energy |
-3.210351642100000e+02 |
-3.210351642200000e+02 |
1.610000000000000e-07 |
1.000000793283107e-08 |
PASS |
| Ion-ion energy |
-2.921289898800000e+02 |
-2.921289898800000e+02 |
5.370000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Eigenvalues sum |
-1.431170487000000e+01 |
-1.431170487000000e+01 |
7.160000000000001e-08 |
0.000000000000000e+00 |
PASS |
| Hartree energy |
2.648438346000000e+01 |
2.648505053000000e+01 |
5.000000000000000e+00 |
-6.670699999986596e-04 |
PASS |
| Exchange energy |
-1.071860274300000e+02 |
-1.071860274300000e+02 |
5.360000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Correlation energy |
-1.083241590000000e+01 |
-1.083241590000000e+01 |
5.420000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Kinetic energy |
2.324520528200000e+02 |
2.324520528200000e+02 |
1.160000000000000e-07 |
0.000000000000000e+00 |
PASS |
| External energy |
-1.698240312800000e+02 |
-1.698240312800000e+02 |
8.490000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Electron Fermi energy |
6.972354000000000e+00 |
6.972353999999999e+00 |
3.490000000000000e-05 |
8.881784197001252e-16 |
PASS |
| Hole Fermi energy |
1.129911900000000e+01 |
1.129911900000000e+01 |
5.650000000000000e-08 |
-1.776356839400250e-15 |
PASS |