Input 33-go_shape.01-Si.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-7.929655080000000e+00 |
-7.929655080000000e+00 |
3.960000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Axis length |
7.181000000000000e+00 |
7.180999999999999e+00 |
3.590000000000000e-02 |
8.881784197001252e-16 |
PASS |
| Axis length |
7.181000000000000e+00 |
7.180999999999999e+00 |
3.590000000000000e-02 |
8.881784197001252e-16 |
PASS |
| Axis length |
7.181000000000000e+00 |
7.180999999999999e+00 |
3.590000000000000e-02 |
8.881784197001252e-16 |
PASS |
| Geometry Si1-x |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Geometry Si1-y |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Geometry Si1-z |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Geometry Si2-x |
1.343543000000000e+00 |
1.343543000000000e+00 |
6.720000000000000e-06 |
-2.220446049250313e-16 |
PASS |
| Geometry Si2-y |
1.343543000000000e+00 |
1.343543000000000e+00 |
6.720000000000000e-06 |
-2.220446049250313e-16 |
PASS |
| Geometry Si2-z |
1.343543000000000e+00 |
1.343543000000000e+00 |
6.720000000000000e-06 |
-2.220446049250313e-16 |
PASS |
| Force [x] |
1.027493610000000e-14 |
1.107109880000000e-14 |
1.110000000000000e-15 |
-7.961627000000002e-16 |
PASS |
| Force [y] |
1.028987780000000e-14 |
1.067479960000000e-14 |
1.160000000000000e-15 |
-3.849218000000012e-16 |
PASS |
| Force [z] |
1.022069200000000e-14 |
1.151024700000000e-14 |
8.350000000000000e-16 |
-1.289555000000001e-15 |
FAIL |
| Force [x] |
-1.027493610000000e-14 |
-1.107109880000000e-14 |
1.110000000000000e-15 |
7.961627000000002e-16 |
PASS |
| Force [y] |
-1.028987780000000e-14 |
-1.067479960000000e-14 |
1.160000000000000e-15 |
3.849218000000012e-16 |
PASS |
| Force [z] |
-1.022069200000000e-14 |
-1.151024700000000e-14 |
8.350000000000000e-16 |
1.289555000000001e-15 |
FAIL |