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 |
-1.239098610000000e+02 |
-1.239098609200000e+02 |
8.250000000000000e-08 |
-8.000000661922968e-08 |
PASS |
| Ion-ion energy |
-7.831680646000000e+01 |
-7.831680646000000e+01 |
3.920000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Eigenvalues sum |
-1.743911913000000e+01 |
-1.743911910000000e+01 |
8.720000000000000e-07 |
-3.000000248221113e-08 |
PASS |
| Hartree energy |
2.857300978000000e+01 |
2.857300972000000e+01 |
1.430000000000000e-07 |
6.000000141170858e-08 |
PASS |
| Exchange energy |
-1.562985609000000e+01 |
-1.562985608000000e+01 |
7.810000000000000e-08 |
-9.999999051046871e-09 |
PASS |
| Correlation energy |
-1.341657960000000e+00 |
-1.341657960000000e+00 |
6.710000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Kinetic energy |
5.146093111000000e+01 |
5.146093104000001e+01 |
2.570000000000000e-07 |
6.999999158097125e-08 |
PASS |
| External energy |
-1.086554812800000e+02 |
-1.086554811900000e+02 |
9.900000000000000e-08 |
-9.000000034120603e-08 |
PASS |
| Total xc torque x |
-1.011000000000000e-30 |
1.760000000000000e-30 |
2.890000000000000e-29 |
-2.771000000000000e-30 |
PASS |
| Total xc torque y |
-1.011000000000000e-30 |
1.760000000000000e-30 |
2.890000000000000e-29 |
-2.771000000000000e-30 |
PASS |
| Total xc torque z |
-1.011000000000000e-30 |
1.760000000000000e-30 |
2.890000000000000e-29 |
-2.771000000000000e-30 |
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 |
-3.262886000000000e+00 |
-3.262886000000000e+00 |
1.630000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 2 |
-3.255390000000000e+00 |
-3.255390000000000e+00 |
1.630000000000000e-04 |
4.440892098500626e-16 |
PASS |
| Eigenvalue 3 |
-1.932548000000000e+00 |
-1.932548000000000e+00 |
9.660000000000001e-06 |
2.220446049250313e-16 |
PASS |
| Eigenvalue 4 |
-1.924243000000000e+00 |
-1.924243000000000e+00 |
9.619999999999999e-06 |
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 |
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 |