Input 02-xc_2d.01-hartree.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Hartree energy |
1.111568690000000e+00 |
1.111614240000000e+00 |
1.000000000000000e-04 |
-4.555000000006082e-05 |
PASS |
| Hartree eigenvalues sum |
1.428600050000000e+00 |
1.428680050000000e+00 |
1.000000000000000e-04 |
-8.000000000008001e-05 |
PASS |
| Hartree kinetic energy |
3.163548000000000e-01 |
3.163327400000000e-01 |
1.000000000000000e-04 |
2.205999999999042e-05 |
PASS |
| Hartree external energy |
4.781825300000000e-01 |
4.782156900000000e-01 |
1.000000000000000e-04 |
-3.316000000003205e-05 |
PASS |
| Hartree eigenvalue 1 up |
6.069800000000000e-01 |
6.069730000000000e-01 |
1.000000000000000e-04 |
6.999999999979245e-06 |
PASS |
| Hartree eigenvalue 2 up |
8.216200000000000e-01 |
8.216020000000001e-01 |
1.000000000000000e-04 |
1.799999999996249e-05 |
PASS |
| Hartree eigenvalue 1 dn |
1.156259000000000e+00 |
1.156249000000000e+00 |
1.000000000000000e-04 |
9.999999999843467e-06 |
PASS |
| Hartree eigenvalue 2 dn |
1.221874000000000e+00 |
1.221872000000000e+00 |
1.000000000000000e-04 |
1.999999999835467e-06 |
PASS |