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) |
-2.586807600000000e+00 |
-2.586806500000000e+00 |
1.290000000000000e-06 |
-1.099999999976120e-06 |
PASS |
| Band structure E2(k1) |
-2.581886700000000e+00 |
-2.581885500000000e+00 |
1.290000000000000e-06 |
-1.199999999812462e-06 |
PASS |
| Band structure E3(k1) |
-2.579834130000000e+00 |
-2.579833920000000e+00 |
2.370000000000000e-07 |
-2.100000005000879e-07 |
PASS |