Input 01-nio.02-unocc.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Band structure k1x |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Band structure k1y |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Band structure k1z |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Red. coord. k1 |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Red. coord. k3 |
5.000000000000000e-01 |
5.000000000000000e-01 |
2.500000000000000e+00 |
0.000000000000000e+00 |
PASS |
| Band structure k3x |
-1.562000000000000e-02 |
-1.562000000000000e-02 |
7.810000000000000e-05 |
1.734723475976807e-18 |
PASS |
| Band structure E1(k1) |
-2.586286580000000e+00 |
-2.586286490000000e+00 |
2.100000000000000e-05 |
-8.999999989711682e-08 |
PASS |
| Band structure E2(k1) |
-2.581305240000000e+00 |
-2.581305125000000e+00 |
2.100000000000000e-05 |
-1.149999997451800e-07 |
PASS |
| Band structure E3(k1) |
-2.580170170000000e+00 |
-2.580170260000000e+00 |
8.199999999999999e-06 |
8.999999989711682e-08 |
PASS |
| Band structure E1(k1) |
-2.586286580000000e+00 |
-2.586286490000000e+00 |
2.100000000000000e-05 |
-8.999999989711682e-08 |
PASS |
| Band structure E2(k1) |
-2.581305240000000e+00 |
-2.581305125000000e+00 |
2.100000000000000e-05 |
-1.149999997451800e-07 |
PASS |