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] |
4.240446760000000e-15 |
4.244545700000000e-15 |
2.060000000000000e-15 |
-4.098939999999607e-18 |
PASS |
| Force [y] |
4.353302280000000e-15 |
4.536126500000000e-15 |
1.760000000000000e-15 |
-1.828242200000001e-16 |
PASS |
| Force [z] |
5.064276620000000e-15 |
4.500901595000000e-15 |
1.740000000000000e-15 |
5.633750250000002e-16 |
PASS |
| Force [x] |
-4.240446760000000e-15 |
-4.244545700000000e-15 |
2.060000000000000e-15 |
4.098939999999607e-18 |
PASS |
| Force [y] |
-4.353302280000000e-15 |
-4.536126500000000e-15 |
1.760000000000000e-15 |
1.828242200000001e-16 |
PASS |
| Force [z] |
-5.064276620000000e-15 |
-4.500901595000000e-15 |
1.740000000000000e-15 |
-5.633750250000002e-16 |
PASS |