Input 32-photodoping.01-gs.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Total energy | -3.210351729400000e+02 | -3.210351729400000e+02 | 1.610000000000000e-07 | 0.000000000000000e+00 | PASS |
| Ion-ion energy | -2.921289898800000e+02 | -2.921289898800000e+02 | 5.370000000000000e-08 | 0.000000000000000e+00 | PASS |
| Eigenvalues sum | -1.431171253000000e+01 | -1.431171253000000e+01 | 7.160000000000001e-08 | 1.776356839400250e-15 | PASS |
| Hartree energy | 2.648438453000000e+01 | 2.648505053000000e+01 | 5.000000000000000e+00 | -6.659999999989452e-04 | PASS |
| Exchange energy | -1.071860280600000e+02 | -1.071860280600000e+02 | 5.360000000000000e-08 | 0.000000000000000e+00 | PASS |
| Correlation energy | -1.083241584000000e+01 | -1.083241590000000e+01 | 5.420000000000000e-07 | 6.000000141170858e-08 | PASS |
| Kinetic energy | 2.324520565000000e+02 | 2.324520565000000e+02 | 1.160000000000000e-06 | 0.000000000000000e+00 | PASS |
| External energy | -1.698240354800000e+02 | -1.698240354800000e+02 | 8.490000000000000e-08 | 0.000000000000000e+00 | PASS |
| Electron Fermi energy | 6.972353000000000e+00 | 6.972353999999999e+00 | 3.490000000000000e-05 | -9.999999992515995e-07 | PASS |
| Hole Fermi energy | 1.129911800000000e+01 | 1.129911800000000e+01 | 5.650000000000000e-06 | 0.000000000000000e+00 | PASS |