Input 10-berkeleygw.02-unocc.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| k-point 1 (x) |
0.000000000000000e+00 |
0.000000000000000e+00 |
9.820000000000001e-08 |
0.000000000000000e+00 |
PASS |
| k-point 1 (y) |
0.000000000000000e+00 |
0.000000000000000e+00 |
9.820000000000001e-08 |
0.000000000000000e+00 |
PASS |
| k-point 1 (z) |
1.000000000000000e-02 |
1.000000000000000e-02 |
9.820000000000001e-08 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 1 |
-2.869590000000000e-01 |
-2.869590000000000e-01 |
1.430000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 8 |
4.600300000000000e-02 |
4.600300000000000e-02 |
2.300000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 16 |
1.513130000000000e-01 |
1.513130000000000e-01 |
7.570000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 18 |
1.614460000000000e-01 |
1.614600000000000e-01 |
8.070000000000000e-05 |
-1.399999999998625e-05 |
PASS |
| Eigenvalue 26 |
2.821220000000000e-01 |
2.821220000000000e-01 |
1.410000000000000e-05 |
0.000000000000000e+00 |
PASS |
| WFN |
2.320400000000000e+05 |
2.320400000000000e+05 |
1.410000000000000e-05 |
0.000000000000000e+00 |
PASS |
| vxc k 1 z |
1.000000000000000e-02 |
1.000000000000000e-02 |
5.000000000000000e-02 |
-1.734723475976807e-18 |
PASS |
| vxc k 1 diag |
2.600000000000000e+01 |
2.600000000000000e+01 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| vxc k 1 offdiag |
6.760000000000000e+02 |
6.760000000000000e+02 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| vxc k 1 2 Re |
-1.084409532000000e+01 |
-1.084409532000000e+01 |
5.420000000000000e-08 |
0.000000000000000e+00 |
PASS |
| vxc k 1 2 Im |
-1.542103219000000e-17 |
0.000000000000000e+00 |
1.000000000000000e-10 |
-1.542103219000000e-17 |
PASS |
| vxc k 1 8 8 Re |
-1.062546795000000e+01 |
-1.062546795000000e+01 |
5.310000000000000e-08 |
0.000000000000000e+00 |
PASS |
| vxc k 1 8 8 Im |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-10 |
0.000000000000000e+00 |
PASS |
| x k 1 z |
1.000000000000000e-02 |
1.000000000000000e-02 |
5.000000000000000e-02 |
-1.734723475976807e-18 |
PASS |
| x k 1 diag |
2.600000000000000e+01 |
2.600000000000000e+01 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| x k 1 offdiag |
6.760000000000000e+02 |
6.760000000000000e+02 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| x k 1 2 Re |
-8.793483055999999e+00 |
-8.793483062000000e+00 |
4.400000000000000e-08 |
6.000000496442226e-09 |
PASS |
| x k 1 2 Im |
6.068286684000000e-17 |
0.000000000000000e+00 |
1.000000000000000e-10 |
6.068286684000000e-17 |
PASS |
| x k 1 8 8 Re |
-6.959579055000000e+00 |
-6.959579054000001e+00 |
3.480000000000000e-08 |
-9.999991945619513e-10 |
PASS |
| x k 1 8 8 Im |
4.381142262000000e-16 |
0.000000000000000e+00 |
1.000000000000000e-10 |
4.381142262000000e-16 |
PASS |