Input 02-cu2_hgh.02_gs_current.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-8.296024011999999e+01 |
-8.296024011999999e+01 |
4.150000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Ion-ion energy |
3.025000000000000e+01 |
3.025000000000000e+01 |
1.510000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Eigenvalues sum |
-6.260382670000000e+00 |
-6.260382670000000e+00 |
3.130000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Hartree energy |
1.109316275800000e+02 |
1.109316275800000e+02 |
5.550000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Int[n*v_xc] |
-1.675389071000000e+01 |
-1.675389071000000e+01 |
8.380000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Exchange energy |
-1.145218223000000e+01 |
-1.145218223000000e+01 |
5.730000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Correlation energy |
-1.319938350000000e+00 |
-1.319938350000000e+00 |
6.600000000000000e-08 |
2.220446049250313e-16 |
PASS |
| Kinetic energy |
9.469313146000000e+01 |
9.469313146000000e+01 |
4.730000000000000e-07 |
0.000000000000000e+00 |
PASS |
| External energy |
-3.058114875400000e+02 |
-3.058114875400000e+02 |
1.530000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 1 |
-4.269290000000000e-01 |
-4.269290000000000e-01 |
2.130000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 2 |
-3.607820000000000e-01 |
-3.607820000000000e-01 |
1.800000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 3 |
-3.398070000000000e-01 |
-3.398070000000000e-01 |
1.700000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 4 |
-3.211100000000000e-01 |
-3.211100000000000e-01 |
1.610000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 5 |
-3.077120000000000e-01 |
-3.077120000000000e-01 |
1.540000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 6 |
-2.886850000000000e-01 |
-2.886850000000000e-01 |
1.440000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 7 |
-2.583370000000000e-01 |
-2.583370000000000e-01 |
1.290000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 8 |
-2.263420000000000e-01 |
-2.263420000000000e-01 |
1.130000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 9 |
-2.164860000000000e-01 |
-2.164860000000000e-01 |
1.080000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 10 |
-2.031300000000000e-01 |
-2.031300000000000e-01 |
1.020000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 11 |
-1.825060000000000e-01 |
-1.825060000000000e-01 |
9.130000000000001e-06 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 12 |
-1.779810000000000e-01 |
-1.779810000000000e-01 |
8.899999999999999e-06 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 13 |
-7.637700000000000e-02 |
-7.637700000000000e-02 |
3.820000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Current 1 pos |
-4.000000000000000e+00 |
-4.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Current 1 val |
-1.214123913596070e-02 |
-1.214123913601560e-02 |
1.000000000000000e-12 |
5.490052856771399e-14 |
PASS |
| Current 2 pos |
-2.000000000000000e+00 |
-2.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Current 2 val |
1.105552176825150e-04 |
1.105552176723600e-04 |
1.000000000000000e-12 |
1.015500346573245e-14 |
PASS |
| Current 3 pos |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Current 3 val |
-9.885487001224151e-15 |
0.000000000000000e+00 |
1.000000000000000e-12 |
-9.885487001224151e-15 |
PASS |
| Current 4 pos |
8.000000000000000e-01 |
8.000000000000000e-01 |
4.000000000000000e+00 |
0.000000000000000e+00 |
PASS |
| Current 4 val |
2.418190712179200e-02 |
2.418190712251900e-02 |
1.500000000000000e-12 |
-7.270017921001681e-13 |
PASS |
| Current 5 pos |
3.200000000000000e+00 |
3.200000000000000e+00 |
1.600000000000000e+00 |
0.000000000000000e+00 |
PASS |
| Current 5 val |
6.091280029373990e-02 |
6.091280029366421e-02 |
2.930000000000000e-12 |
7.568945470382005e-14 |
PASS |
| Current 6 pos |
3.600000000000000e+00 |
3.600000000000000e+00 |
1.800000000000000e+00 |
4.440892098500626e-16 |
PASS |
| Current 6 val |
2.875222982593310e-02 |
2.875222982596360e-02 |
1.790000000000000e-12 |
-3.049990815462422e-14 |
PASS |
| Current 7 pos |
4.000000000000000e+00 |
4.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Current 7 val |
1.214123913595840e-02 |
1.214123913599420e-02 |
1.000000000000000e-12 |
-3.579948837373337e-14 |
PASS |