Input 21-magnon.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 |
-1.239099407300000e+02 |
-1.239099407200000e+02 |
6.200000000000000e-08 |
-1.000000793283107e-08 |
PASS |
| Ion-ion energy |
-7.831680646000000e+01 |
-7.831680646000000e+01 |
3.920000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Eigenvalues sum |
-1.743748914000000e+01 |
-1.743748915000000e+01 |
8.720000000000000e-08 |
9.999997274690031e-09 |
PASS |
| Hartree energy |
2.857334635000000e+01 |
2.857334633000000e+01 |
1.430000000000000e-07 |
2.000000165480742e-08 |
PASS |
| Exchange energy |
-1.563081873000000e+01 |
-1.563081873000000e+01 |
7.820000000000000e-08 |
1.776356839400250e-15 |
PASS |
| Correlation energy |
-1.341674330000000e+00 |
-1.341674330000000e+00 |
6.710000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Kinetic energy |
5.145799828000000e+01 |
5.145799826500001e+01 |
2.600000000000000e-08 |
1.499999058296453e-08 |
PASS |
| External energy |
-1.086519858300000e+02 |
-1.086519858000000e+02 |
7.000000000000000e-08 |
-2.999999537678377e-08 |
PASS |
| Total xc torque x |
1.975000000000000e-30 |
1.760000000000000e-30 |
2.890000000000000e-29 |
2.150000000000004e-31 |
PASS |
| Total xc torque y |
1.975000000000000e-30 |
1.760000000000000e-30 |
2.890000000000000e-29 |
2.150000000000004e-31 |
PASS |
| Total xc torque z |
1.975000000000000e-30 |
1.760000000000000e-30 |
2.890000000000000e-29 |
2.150000000000004e-31 |
PASS |
| k-point 2 (x) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| k-point 2 (y) |
5.000000000000000e-01 |
5.000000000000000e-01 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| k-point 2 (z) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 1 |
-3.263765000000000e+00 |
-3.263765000000000e+00 |
1.630000000000000e-05 |
4.440892098500626e-16 |
PASS |
| Eigenvalue 2 |
-3.256268000000000e+00 |
-3.256268000000000e+00 |
1.630000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 3 |
-1.932061000000000e+00 |
-1.932061000000000e+00 |
9.660000000000001e-06 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 4 |
-1.923750000000000e+00 |
-1.923750000000000e+00 |
9.619999999999999e-05 |
-2.220446049250313e-16 |
PASS |
| Eigenval in k-space |
2.000000000000000e+00 |
2.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Eigenval in k-space |
2.000000000000000e+00 |
2.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Eigenval in k-space |
2.000000000000000e+00 |
2.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Eigenval in k-space |
8.000000000000000e+00 |
8.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |