Input 33-go_shape.03-Si_par_domains.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] |
9.779831990000001e-15 |
1.060048700000000e-14 |
9.400000000000001e-16 |
-8.206550100000003e-16 |
PASS |
| Force [y] |
1.033238660000000e-14 |
1.077718659000000e-14 |
8.890000000000000e-16 |
-4.447999900000012e-16 |
PASS |
| Force [z] |
1.031822250000000e-14 |
1.159580000000000e-14 |
1.390000000000000e-15 |
-1.277577500000001e-15 |
PASS |
| Force [x] |
-9.779831990000001e-15 |
-1.060048700000000e-14 |
9.400000000000001e-16 |
8.206550100000003e-16 |
PASS |
| Force [y] |
-1.033238660000000e-14 |
-1.077718659000000e-14 |
8.890000000000000e-16 |
4.447999900000012e-16 |
PASS |
| Force [z] |
-1.031822250000000e-14 |
-1.159580000000000e-14 |
1.390000000000000e-15 |
1.277577500000001e-15 |
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 |