Input 02-cu2_hgh.02_gs_current.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-8.296047179999999e+01 |
-8.296047095500001e+01 |
9.290000000000000e-07 |
-8.449999882031989e-07 |
PASS |
| Ion-ion energy |
3.025000000000000e+01 |
3.025000000000000e+01 |
1.510000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Eigenvalues sum |
-6.261042370000000e+00 |
-6.261041895000000e+00 |
5.230000000000000e-07 |
-4.750000002218258e-07 |
PASS |
| Hartree energy |
1.109311725000000e+02 |
1.109311722600000e+02 |
5.830000000000000e-07 |
2.400000056468343e-07 |
PASS |
| Int[n*v_xc] |
-1.675378021000000e+01 |
-1.675378016000000e+01 |
9.900000000000000e-08 |
-4.999999703159119e-08 |
PASS |
| Exchange energy |
-1.145210156000000e+01 |
-1.145210150000000e+01 |
5.730000000000000e-07 |
-5.999999785899490e-08 |
PASS |
| Correlation energy |
-1.319935570000000e+00 |
-1.319935570000000e+00 |
6.600000000000000e-08 |
2.220446049250313e-16 |
PASS |
| Kinetic energy |
9.444068957000000e+01 |
9.444068926000000e+01 |
7.430000000000000e-07 |
3.100000043332329e-07 |
PASS |
| External energy |
-3.058102958800000e+02 |
-3.058102954000000e+02 |
1.530000000000000e-06 |
-4.800000397153781e-07 |
PASS |
| Current 1 pos |
-4.000000000000000e+00 |
-4.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Current 1 val |
-1.214239646480870e-02 |
-1.214239494102605e-02 |
1.800000000000000e-09 |
-1.523782650406091e-09 |
PASS |
| Current 2 pos |
-2.000000000000000e+00 |
-2.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Current 2 val |
1.105352677224480e-04 |
1.105349368060980e-04 |
3.640000000000000e-10 |
3.309163499996695e-10 |
PASS |
| Current 3 pos |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Current 3 val |
2.649193828616630e-10 |
-1.995344201822850e-10 |
2.290000000000000e-09 |
4.644538030439480e-10 |
PASS |
| Current 4 pos |
8.000000000000000e-01 |
8.000000000000000e-01 |
4.000000000000000e+00 |
0.000000000000000e+00 |
PASS |
| Current 4 val |
2.418555969713820e-02 |
2.418555680050440e-02 |
3.190000000000000e-09 |
2.896633797405679e-09 |
PASS |
| Current 5 pos |
3.200000000000000e+00 |
3.200000000000000e+00 |
1.600000000000000e+00 |
0.000000000000000e+00 |
PASS |
| Current 5 val |
6.091368402338650e-02 |
6.091368280607900e-02 |
9.430000000000001e-09 |
1.217307497858311e-09 |
PASS |
| Current 6 pos |
3.600000000000000e+00 |
3.600000000000000e+00 |
1.800000000000000e+00 |
4.440892098500626e-16 |
PASS |
| Current 6 val |
2.875340505184530e-02 |
2.875340306013900e-02 |
4.290000000000000e-09 |
1.991706299886431e-09 |
PASS |
| Current 7 pos |
4.000000000000000e+00 |
4.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Current 7 val |
1.214239607829300e-02 |
1.214239482777600e-02 |
1.440000000000000e-09 |
1.250516998979601e-09 |
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 |