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 |
1.111569610000000e+00 |
1.111614240000000e+00 |
1.000000000000000e-04 |
-4.462999999987893e-05 |
PASS |
| Hartree eigenvalues sum |
1.428596790000000e+00 |
1.428680050000000e+00 |
1.000000000000000e-04 |
-8.326000000002942e-05 |
PASS |
| Hartree kinetic energy |
3.163488200000000e-01 |
3.163327400000000e-01 |
1.000000000000000e-04 |
1.607999999997389e-05 |
PASS |
| Hartree external energy |
4.781936100000000e-01 |
4.782156900000000e-01 |
1.000000000000000e-04 |
-2.208000000003540e-05 |
PASS |
| Hartree eigenvalue 1 up |
6.069740000000000e-01 |
6.069730000000000e-01 |
1.000000000000000e-04 |
1.000000000028756e-06 |
PASS |
| Hartree eigenvalue 2 up |
8.216230000000000e-01 |
8.216020000000001e-01 |
1.000000000000000e-04 |
2.099999999993774e-05 |
PASS |
| Hartree eigenvalue 1 dn |
1.156255000000000e+00 |
1.156249000000000e+00 |
1.000000000000000e-04 |
5.999999999950489e-06 |
PASS |
| Hartree eigenvalue 2 dn |
1.221871000000000e+00 |
1.221872000000000e+00 |
1.000000000000000e-04 |
-1.000000000139778e-06 |
PASS |