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 |
-3.210390438100000e+02 |
-3.210390438050000e+02 |
5.500000000000000e-09 |
-5.000003966415534e-09 |
PASS |
| Ion-ion energy |
-2.921289898800000e+02 |
-2.921289898800000e+02 |
5.370000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Eigenvalues sum |
-1.430337622000000e+01 |
-1.430337622000000e+01 |
7.150000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Hartree energy |
2.649839020000000e+01 |
2.648505053000000e+01 |
5.000000000000000e+00 |
1.333967000000058e-02 |
PASS |
| Exchange energy |
-1.072020054300000e+02 |
-1.072020054300000e+02 |
5.360000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Correlation energy |
-1.083139125000000e+01 |
-1.083139125000000e+01 |
5.420000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Kinetic energy |
2.324559952900000e+02 |
2.324559952950000e+02 |
5.500000000000000e-09 |
-5.000003966415534e-09 |
PASS |
| External energy |
-1.698309432100000e+02 |
-1.698309432200000e+02 |
8.490000000000000e-08 |
1.000000793283107e-08 |
PASS |
| Electron Fermi energy |
6.973216000000000e+00 |
6.973216000000000e+00 |
3.490000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Hole Fermi energy |
1.127814200000000e+01 |
1.127814200000000e+01 |
5.640000000000000e-06 |
1.776356839400250e-15 |
PASS |