Input 06-octopus_basics-periodic_systems.03-bandstructure.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| k-point 1 - coord. |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| k-point 1 - kx |
5.000000000000000e-01 |
5.000000000000000e-01 |
2.500000000000000e+00 |
0.000000000000000e+00 |
PASS |
| k-point 1 - ky |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| k-point 1 - kz |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| k-point 1 - band 1 |
-1.999186700000000e-01 |
-1.999186700000000e-01 |
1.000000000000000e-07 |
0.000000000000000e+00 |
PASS |
| k-point 1 - band 2 |
-1.047228900000000e-01 |
-1.047228900000000e-01 |
5.240000000000000e-08 |
0.000000000000000e+00 |
PASS |
| k-point 1 - band 3 |
1.104703300000000e-01 |
1.104703200000000e-01 |
5.520000000000000e-08 |
1.000000000861423e-08 |
PASS |
| k-point 1 - band 4 |
1.104703300000000e-01 |
1.104703200000000e-01 |
5.520000000000000e-08 |
1.000000000861423e-08 |
PASS |
| k-point 1 - band 5 |
2.130587800000000e-01 |
2.130587800000000e-01 |
1.070000000000000e-07 |
0.000000000000000e+00 |
PASS |
| k-point 1 - band 6 |
2.768619600000000e-01 |
2.768619100000000e-01 |
1.380000000000000e-07 |
5.000000002919336e-08 |
PASS |
| k-point 1 - band 7 |
2.768619600000000e-01 |
2.768619600000000e-01 |
1.380000000000000e-07 |
0.000000000000000e+00 |
PASS |
| k-point 1 - band 8 |
4.350702400000000e-01 |
4.350701700000000e-01 |
2.180000000000000e-07 |
7.000000001866624e-08 |
PASS |
| k-point 1 - band 9 |
5.443235400000001e-01 |
5.443235400000001e-01 |
2.720000000000000e-07 |
0.000000000000000e+00 |
PASS |
| k-point 36 - coord. |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| k-point 36 - kx |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| k-point 36 - ky |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| k-point 36 - kz |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| k-point 36 - band 1 |
-2.881596300000000e-01 |
-2.881596300000000e-01 |
1.440000000000000e-07 |
0.000000000000000e+00 |
PASS |
| k-point 36 - band 2 |
1.548342700000000e-01 |
1.548342700000000e-01 |
7.740000000000000e-08 |
0.000000000000000e+00 |
PASS |
| k-point 36 - band 3 |
1.548342700000000e-01 |
1.548342700000000e-01 |
7.740000000000000e-08 |
0.000000000000000e+00 |
PASS |
| k-point 36 - band 4 |
1.548342700000000e-01 |
1.548342700000000e-01 |
7.740000000000000e-08 |
0.000000000000000e+00 |
PASS |
| k-point 36 - band 5 |
2.493984800000000e-01 |
2.493984100000000e-01 |
1.250000000000000e-07 |
7.000000001866624e-08 |
PASS |
| k-point 36 - band 6 |
2.493984800000000e-01 |
2.493984100000000e-01 |
1.250000000000000e-07 |
7.000000001866624e-08 |
PASS |
| k-point 36 - band 7 |
2.493984800000000e-01 |
2.493984100000000e-01 |
1.250000000000000e-07 |
7.000000001866624e-08 |
PASS |
| k-point 36 - band 8 |
2.856866900000000e-01 |
2.856866900000000e-01 |
1.430000000000000e-07 |
0.000000000000000e+00 |
PASS |
| k-point 36 - band 9 |
4.402619500000000e-01 |
4.402620700000000e-01 |
2.200000000000000e-07 |
-1.199999999923484e-07 |
PASS |