Input 33-go_shape.01-Si.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-7.929654820000000e+00 |
-7.929654820000000e+00 |
2.090000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Force [x] |
6.763971900000000e-08 |
6.763972000000001e-08 |
2.350000000000000e-08 |
-1.000000003627494e-15 |
PASS |
| Force [y] |
6.763972000000001e-08 |
6.763972049999999e-08 |
2.350000000000000e-08 |
-4.999999885788571e-16 |
PASS |
| Force [z] |
6.763971990000000e-08 |
6.763972049999999e-08 |
2.350000000000000e-08 |
-5.999999968825403e-16 |
PASS |
| Force [x] |
-6.763971900000000e-08 |
-6.763972000000001e-08 |
2.350000000000000e-08 |
1.000000003627494e-15 |
PASS |
| Force [y] |
-6.763972000000001e-08 |
-6.763972049999999e-08 |
2.350000000000000e-08 |
4.999999885788571e-16 |
PASS |
| Force [z] |
-6.763971990000000e-08 |
-6.763972049999999e-08 |
2.350000000000000e-08 |
5.999999968825403e-16 |
PASS |
| Axis length |
7.181000000000000e+00 |
7.181000000000000e+00 |
2.350000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Axis length |
7.181000000000000e+00 |
7.181000000000000e+00 |
2.350000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Axis length |
7.181000000000000e+00 |
7.181000000000000e+00 |
2.350000000000000e-08 |
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 |