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 |
-3.210396568000000e+02 |
-3.210396568000000e+02 |
5.740000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Ion-ion energy |
-2.921289898800000e+02 |
-2.921289898800000e+02 |
5.370000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Eigenvalues sum |
-1.431584714000000e+01 |
-1.431584714000000e+01 |
4.130000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Hartree energy |
2.648505053000000e+01 |
2.648505053000000e+01 |
5.000000000000000e+00 |
0.000000000000000e+00 |
PASS |
| Exchange energy |
-1.071861683200000e+02 |
-1.071861683200000e+02 |
1.550000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Correlation energy |
-1.083242810000000e+01 |
-1.083242810000000e+01 |
2.230000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Kinetic energy |
2.324540827800000e+02 |
2.324540827800000e+02 |
4.310000000000000e-07 |
0.000000000000000e+00 |
PASS |
| External energy |
-1.698310734700000e+02 |
-1.698310734700000e+02 |
3.410000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Electron Fermi energy |
6.971835000000000e+00 |
6.971835000000000e+00 |
3.410000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Hole Fermi energy |
1.129848500000000e+01 |
1.129848500000000e+01 |
3.410000000000000e-07 |
0.000000000000000e+00 |
PASS |