Input 31-magnon_1d.01-gs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Total energy |
-5.262582840000000e+00 |
-5.262582840000000e+00 |
6.200000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Ion-ion energy |
0.000000000000000e+00 |
0.000000000000000e+00 |
3.920000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Eigenvalues sum |
-5.365939480000000e+00 |
-5.365939480000000e+00 |
8.720000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Hartree energy |
1.112430000000000e-03 |
1.112430000000000e-03 |
1.430000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Exchange energy |
-3.608242600000000e-01 |
-3.608242600000000e-01 |
7.820000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Correlation energy |
-6.242330000000000e-03 |
-6.242330000000000e-03 |
6.710000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Kinetic energy |
1.903809500000000e-01 |
1.903809500000000e-01 |
1.650000000000000e-08 |
0.000000000000000e+00 |
PASS |
| External energy |
-5.087009610000000e+00 |
-5.087009610000000e+00 |
5.430000000000000e-07 |
0.000000000000000e+00 |
PASS |
| k-point 2 (x) |
1.000000000000000e-02 |
1.000000000000000e-02 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 1 |
-5.542966000000000e+00 |
-5.542966000000000e+00 |
1.630000000000000e-05 |
0.000000000000000e+00 |
PASS |