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 |
-1.239098609100000e+02 |
-1.239098609400000e+02 |
1.430000000000000e-07 |
2.999999537678377e-08 |
PASS |
| Ion-ion energy |
-7.831680646000000e+01 |
-7.831680646000000e+01 |
3.920000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Eigenvalues sum |
-1.743911908000000e+01 |
-1.743911910000000e+01 |
8.720000000000000e-07 |
1.999999810209374e-08 |
PASS |
| Hartree energy |
2.857300973000000e+01 |
2.857300972000000e+01 |
1.430000000000000e-07 |
1.000000082740371e-08 |
PASS |
| Exchange energy |
-1.562985608000000e+01 |
-1.562985608000000e+01 |
7.810000000000000e-08 |
1.776356839400250e-15 |
PASS |
| Correlation energy |
-1.341657960000000e+00 |
-1.341657960000000e+00 |
6.710000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Kinetic energy |
5.146093106000000e+01 |
5.146093104000001e+01 |
2.570000000000000e-07 |
1.999999454938006e-08 |
PASS |
| External energy |
-1.086554811900000e+02 |
-1.086554811900000e+02 |
9.900000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Total xc torque x |
5.164000000000000e-31 |
1.760000000000000e-30 |
2.890000000000000e-29 |
-1.243600000000000e-30 |
PASS |
| Total xc torque y |
5.164000000000000e-31 |
1.760000000000000e-30 |
2.890000000000000e-29 |
-1.243600000000000e-30 |
PASS |
| Total xc torque z |
5.164000000000000e-31 |
1.760000000000000e-30 |
2.890000000000000e-29 |
-1.243600000000000e-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 |