Input 02-cu2_hgh.02_gs_current.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-8.296047092000001e+01 |
-8.296047093000000e+01 |
4.150000000000000e-07 |
9.999993721976352e-09 |
PASS |
| Ion-ion energy |
3.025000000000000e+01 |
3.025000000000000e+01 |
1.510000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Eigenvalues sum |
-6.261041770000000e+00 |
-6.261041779999999e+00 |
3.130000000000000e-07 |
9.999999051046871e-09 |
PASS |
| Hartree energy |
1.109311722100000e+02 |
1.109311722200000e+02 |
5.550000000000000e-08 |
-9.999993721976352e-09 |
PASS |
| Int[n*v_xc] |
-1.675378014000000e+01 |
-1.675378014000000e+01 |
8.380000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Exchange energy |
-1.145210152000000e+01 |
-1.145210152000000e+01 |
5.730000000000000e-08 |
1.776356839400250e-15 |
PASS |
| Correlation energy |
-1.319935570000000e+00 |
-1.319935570000000e+00 |
6.600000000000000e-08 |
2.220446049250313e-16 |
PASS |
| Kinetic energy |
9.444068908000000e+01 |
9.444068908000000e+01 |
4.720000000000000e-07 |
0.000000000000000e+00 |
PASS |
| External energy |
-3.058102951300000e+02 |
-3.058102951500000e+02 |
1.530000000000000e-07 |
2.000001586566214e-08 |
PASS |
| Current 1 pos |
-4.000000000000000e+00 |
-4.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Current 1 val |
-1.214239583888850e-02 |
-1.214239577091700e-02 |
7.480000000000000e-11 |
-6.797149995629859e-11 |
PASS |
| Current 2 pos |
-2.000000000000000e+00 |
-2.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Current 2 val |
1.105347797511490e-04 |
1.105347722783890e-04 |
8.220000000000000e-12 |
7.472760000311503e-12 |
PASS |
| Current 3 pos |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Current 3 val |
-3.121649453473040e-10 |
-1.819677590764552e-11 |
3.230000000000000e-10 |
-2.939681694396585e-10 |
PASS |
| Current 4 pos |
8.000000000000000e-01 |
8.000000000000000e-01 |
4.000000000000000e+00 |
0.000000000000000e+00 |
PASS |
| Current 4 val |
2.418555923932370e-02 |
2.418555905083310e-02 |
2.070000000000000e-10 |
1.884905981297536e-10 |
PASS |
| Current 5 pos |
3.200000000000000e+00 |
3.200000000000000e+00 |
1.600000000000000e+00 |
0.000000000000000e+00 |
PASS |
| Current 5 val |
6.091368482061340e-02 |
6.091368550609601e-02 |
7.540000000000000e-10 |
-6.854826081759136e-10 |
PASS |
| Current 6 pos |
3.600000000000000e+00 |
3.600000000000000e+00 |
1.800000000000000e+00 |
4.440892098500626e-16 |
PASS |
| Current 6 val |
2.875340479545920e-02 |
2.875340515160330e-02 |
3.920000000000000e-10 |
-3.561441037913671e-10 |
PASS |
| Current 7 pos |
4.000000000000000e+00 |
4.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Current 7 val |
1.214239563961340e-02 |
1.214239578207360e-02 |
1.570000000000000e-10 |
-1.424601998867292e-10 |
PASS |
| Eigenvalue 1 |
-4.269790000000000e-01 |
-4.269790000000000e-01 |
2.130000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 2 |
-3.608100000000000e-01 |
-3.608100000000000e-01 |
1.800000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 3 |
-3.398370000000000e-01 |
-3.398370000000000e-01 |
1.700000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 4 |
-3.211430000000000e-01 |
-3.211430000000000e-01 |
1.610000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 5 |
-3.077460000000000e-01 |
-3.077460000000000e-01 |
1.540000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 6 |
-2.887110000000000e-01 |
-2.887110000000000e-01 |
1.440000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 7 |
-2.583590000000000e-01 |
-2.583590000000000e-01 |
1.290000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 8 |
-2.263700000000000e-01 |
-2.263700000000000e-01 |
1.130000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 9 |
-2.165180000000000e-01 |
-2.165180000000000e-01 |
1.080000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 10 |
-2.031530000000000e-01 |
-2.031530000000000e-01 |
1.020000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 11 |
-1.825300000000000e-01 |
-1.825300000000000e-01 |
9.130000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 12 |
-1.780020000000000e-01 |
-1.780020000000000e-01 |
8.899999999999999e-06 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 13 |
-7.640700000000000e-02 |
-7.640700000000000e-02 |
3.820000000000000e-05 |
0.000000000000000e+00 |
PASS |