Input 33-go_shape.01-Si.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-7.929654870000000e+00 |
-7.929654820000000e+00 |
2.090000000000000e-07 |
-5.000000058430487e-08 |
PASS |
| Force [x] |
1.369873860000000e-06 |
1.369873860000000e-06 |
6.850000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Force [y] |
1.369873860000000e-06 |
1.369873860000000e-06 |
6.850000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Force [z] |
1.369873860000000e-06 |
1.369873860000000e-06 |
6.850000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Force [x] |
-1.369873860000000e-06 |
-1.369873860000000e-06 |
6.850000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Force [y] |
-1.369873860000000e-06 |
-1.369873860000000e-06 |
6.850000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Force [z] |
-1.369873860000000e-06 |
-1.369873860000000e-06 |
6.850000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Axis length |
7.181000000000000e+00 |
7.181000000000000e+00 |
6.850000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Axis length |
7.181000000000000e+00 |
7.181000000000000e+00 |
6.850000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Axis length |
7.181000000000000e+00 |
7.181000000000000e+00 |
6.850000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Geometry Si1-x |
0.000000000000000e+00 |
0.000000000000000e+00 |
7.249999999999999e-08 |
0.000000000000000e+00 |
PASS |
| Geometry Si1-y |
0.000000000000000e+00 |
0.000000000000000e+00 |
7.249999999999999e-08 |
0.000000000000000e+00 |
PASS |
| Geometry Si1-z |
0.000000000000000e+00 |
0.000000000000000e+00 |
7.249999999999999e-08 |
0.000000000000000e+00 |
PASS |
| Geometry Si2-x |
1.343545000000000e+00 |
1.343545000000000e+00 |
7.249999999999999e-08 |
0.000000000000000e+00 |
PASS |
| Geometry Si2-y |
1.343545000000000e+00 |
1.343545000000000e+00 |
7.249999999999999e-08 |
0.000000000000000e+00 |
PASS |
| Geometry Si2-z |
1.343545000000000e+00 |
1.343545000000000e+00 |
7.249999999999999e-08 |
0.000000000000000e+00 |
PASS |