Input 33-go_shape.01-Si.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-7.929646960000000e+00 |
-7.929646960000001e+00 |
7.930000000000000e-14 |
8.881784197001252e-16 |
PASS |
| Axis length |
7.179000000000000e+00 |
7.180999999999999e+00 |
3.590000000000000e-02 |
-1.999999999998892e-03 |
PASS |
| Axis length |
7.179000000000000e+00 |
7.180999999999999e+00 |
3.590000000000000e-02 |
-1.999999999998892e-03 |
PASS |
| Axis length |
7.179000000000000e+00 |
7.180999999999999e+00 |
3.590000000000000e-02 |
-1.999999999998892e-03 |
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 |
1.343085000000000e+00 |
1.343085000000000e+00 |
1.340000000000000e-14 |
2.220446049250313e-16 |
PASS |
| Geometry Si2-y |
1.343085000000000e+00 |
1.343085000000000e+00 |
1.340000000000000e-14 |
2.220446049250313e-16 |
PASS |
| Geometry Si2-z |
1.343085000000000e+00 |
1.343085000000000e+00 |
1.340000000000000e-14 |
2.220446049250313e-16 |
PASS |
| Force [x] |
4.137716700000000e-15 |
4.244545700000000e-15 |
2.060000000000000e-15 |
-1.068289999999996e-16 |
PASS |
| Force [y] |
4.582544280000000e-15 |
3.864408400000000e-15 |
1.420000000000000e-15 |
7.181358799999994e-16 |
PASS |
| Force [z] |
4.001638690000000e-15 |
4.500901595000000e-15 |
1.740000000000000e-15 |
-4.992629049999996e-16 |
PASS |
| Force [x] |
-4.137716700000000e-15 |
-4.244545700000000e-15 |
2.060000000000000e-15 |
1.068289999999996e-16 |
PASS |
| Force [y] |
-4.582544280000000e-15 |
-3.864408400000000e-15 |
1.420000000000000e-15 |
-7.181358799999994e-16 |
PASS |
| Force [z] |
-4.001638690000000e-15 |
-4.500901595000000e-15 |
1.740000000000000e-15 |
4.992629049999996e-16 |
PASS |