Input 15-bandstructure.03-wannier90_setup.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Unit cell rlattice 1,1 |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.970000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Unit cell rlattice 2,1 |
2.698803760000000e+00 |
2.698803760000000e+00 |
1.970000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Unit cell rlattice 3,1 |
2.698803760000000e+00 |
2.698803760000000e+00 |
1.970000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Atom 1 coord. 1 |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.970000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Atom 2 coord. 1 |
2.500000000000000e-01 |
2.500000000000000e-01 |
1.970000000000000e-07 |
0.000000000000000e+00 |
PASS |
| num_bands |
4.000000000000000e+00 |
4.000000000000000e+00 |
1.970000000000000e-07 |
0.000000000000000e+00 |
PASS |
| num_wann |
4.000000000000000e+00 |
4.000000000000000e+00 |
1.970000000000000e-07 |
0.000000000000000e+00 |
PASS |
| mp_grid 1 |
4.000000000000000e+00 |
4.000000000000000e+00 |
1.970000000000000e-07 |
0.000000000000000e+00 |
PASS |
| mp_grid 2 |
4.000000000000000e+00 |
4.000000000000000e+00 |
1.970000000000000e-07 |
0.000000000000000e+00 |
PASS |
| mp_grid 3 |
4.000000000000000e+00 |
4.000000000000000e+00 |
1.970000000000000e-07 |
0.000000000000000e+00 |
PASS |
| k-point 1 (x) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.970000000000000e-07 |
0.000000000000000e+00 |
PASS |
| k-point 1 (y) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.970000000000000e-07 |
0.000000000000000e+00 |
PASS |
| k-point 1 (z) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.970000000000000e-07 |
0.000000000000000e+00 |
PASS |
| k-point 10 (x) |
-2.500000000000000e-01 |
-2.500000000000000e-01 |
1.970000000000000e-07 |
0.000000000000000e+00 |
PASS |
| k-point 10 (y) |
2.500000000000000e-01 |
2.500000000000000e-01 |
1.970000000000000e-07 |
0.000000000000000e+00 |
PASS |
| k-point 10 (z) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.970000000000000e-07 |
0.000000000000000e+00 |
PASS |
| k-point 20 (x) |
-2.500000000000000e-01 |
-2.500000000000000e-01 |
1.970000000000000e-07 |
0.000000000000000e+00 |
PASS |
| k-point 20 (y) |
-2.500000000000000e-01 |
-2.500000000000000e-01 |
1.970000000000000e-07 |
0.000000000000000e+00 |
PASS |
| k-point 20 (z) |
-2.500000000000000e-01 |
-2.500000000000000e-01 |
1.970000000000000e-07 |
0.000000000000000e+00 |
PASS |