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] |
3.197871900000000e-15 |
4.244545700000000e-15 |
2.060000000000000e-15 |
-1.046673800000000e-15 |
PASS |
| Force [y] |
3.710283360000000e-15 |
3.864408400000000e-15 |
1.420000000000000e-15 |
-1.541250400000001e-16 |
PASS |
| Force [z] |
4.089699000000000e-15 |
4.500901595000000e-15 |
1.740000000000000e-15 |
-4.112025949999996e-16 |
PASS |
| Force [x] |
-3.197871900000000e-15 |
-4.244545700000000e-15 |
2.060000000000000e-15 |
1.046673800000000e-15 |
PASS |
| Force [y] |
-3.710283360000000e-15 |
-3.864408400000000e-15 |
1.420000000000000e-15 |
1.541250400000001e-16 |
PASS |
| Force [z] |
-4.089699000000000e-15 |
-4.500901595000000e-15 |
1.740000000000000e-15 |
4.112025949999996e-16 |
PASS |