Input 33-go_shape.02-Si_cell_only.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-7.929646960000000e+00 |
-7.929646960000001e+00 |
7.930000000000000e-14 |
8.881784197001252e-16 |
PASS |
| Force [x] |
3.804187220000000e-15 |
3.844812010000000e-15 |
2.160000000000000e-15 |
-4.062479000000018e-17 |
PASS |
| Force [y] |
3.317371550000000e-15 |
3.643022600000000e-15 |
1.870000000000000e-15 |
-3.256510500000003e-16 |
PASS |
| Force [z] |
3.231302990000000e-15 |
3.589139200000000e-15 |
1.960000000000000e-15 |
-3.578362099999998e-16 |
PASS |
| Force [x] |
-3.804187220000000e-15 |
-3.844812010000000e-15 |
2.160000000000000e-15 |
4.062479000000018e-17 |
PASS |
| Force [y] |
-3.317371550000000e-15 |
-3.643022600000000e-15 |
1.870000000000000e-15 |
3.256510500000003e-16 |
PASS |
| Force [z] |
-3.231302990000000e-15 |
-3.589139200000000e-15 |
1.960000000000000e-15 |
3.578362099999998e-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 |