Input 33-go_shape.02-Si_cell_only.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-7.929655080000000e+00 |
-7.929655080000000e+00 |
3.960000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Force [x] |
1.138822300000000e-14 |
1.114927040000000e-14 |
1.470000000000000e-15 |
2.389526000000000e-16 |
PASS |
| Force [y] |
1.150437600000000e-14 |
1.152117760000000e-14 |
1.890000000000000e-15 |
-1.680160000000109e-17 |
PASS |
| Force [z] |
1.150640220000000e-14 |
1.159418773000000e-14 |
1.830000000000000e-15 |
-8.778552999999902e-17 |
PASS |
| Force [x] |
-1.138822300000000e-14 |
-1.114927040000000e-14 |
1.470000000000000e-15 |
-2.389526000000000e-16 |
PASS |
| Force [y] |
-1.150437600000000e-14 |
-1.152117760000000e-14 |
1.890000000000000e-15 |
1.680160000000109e-17 |
PASS |
| Force [z] |
-1.150640220000000e-14 |
-1.159418773000000e-14 |
1.830000000000000e-15 |
8.778552999999902e-17 |
PASS |
| Axis length |
7.181000000000000e+00 |
7.180999999999999e+00 |
3.590000000000000e-02 |
8.881784197001252e-16 |
PASS |
| Axis length |
7.181000000000000e+00 |
7.180999999999999e+00 |
3.590000000000000e-02 |
8.881784197001252e-16 |
PASS |
| Axis length |
7.181000000000000e+00 |
7.180999999999999e+00 |
3.590000000000000e-02 |
8.881784197001252e-16 |
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 |
1.343543000000000e+00 |
1.343543000000000e+00 |
6.720000000000000e-06 |
-2.220446049250313e-16 |
PASS |
| Geometry Si2-y |
1.343543000000000e+00 |
1.343543000000000e+00 |
6.720000000000000e-06 |
-2.220446049250313e-16 |
PASS |
| Geometry Si2-z |
1.343543000000000e+00 |
1.343543000000000e+00 |
6.720000000000000e-06 |
-2.220446049250313e-16 |
PASS |