Input 33-go_shape.02-Si_cell_only.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total energy | -7.929654870000000e+00 | -7.929654820000000e+00 | 2.090000000000000e-07 | -5.000000058430487e-08 | PASS |
| Force [x] | 1.369873860000000e-06 | 1.369873860000000e-06 | 2.350000000000000e-08 | 0.000000000000000e+00 | PASS |
| Force [y] | 1.369873860000000e-06 | 1.369873850000000e-06 | 2.350000000000000e-08 | 1.000000003627494e-14 | PASS |
| Force [z] | 1.369873860000000e-06 | 1.369873860000000e-06 | 2.350000000000000e-08 | 0.000000000000000e+00 | PASS |
| Force [x] | -1.369873860000000e-06 | -1.369873860000000e-06 | 2.350000000000000e-08 | 0.000000000000000e+00 | PASS |
| Force [y] | -1.369873860000000e-06 | -1.369873850000000e-06 | 2.350000000000000e-08 | -1.000000003627494e-14 | PASS |
| Force [z] | -1.369873860000000e-06 | -1.369873860000000e-06 | 2.350000000000000e-08 | 0.000000000000000e+00 | PASS |
| Axis length | 7.181000000000000e+00 | 7.181000000000000e+00 | 2.350000000000000e-08 | 0.000000000000000e+00 | PASS |
| Axis length | 7.181000000000000e+00 | 7.181000000000000e+00 | 2.350000000000000e-08 | 0.000000000000000e+00 | PASS |
| Axis length | 7.181000000000000e+00 | 7.181000000000000e+00 | 2.350000000000000e-08 | 0.000000000000000e+00 | PASS |
| Geometry Si1-x | 0.000000000000000e+00 | 0.000000000000000e+00 | 7.249999999999999e-08 | 0.000000000000000e+00 | PASS |
| Geometry Si1-y | 0.000000000000000e+00 | 0.000000000000000e+00 | 7.249999999999999e-08 | 0.000000000000000e+00 | PASS |
| Geometry Si1-z | 0.000000000000000e+00 | 0.000000000000000e+00 | 7.249999999999999e-08 | 0.000000000000000e+00 | PASS |
| Geometry Si2-x | 1.343545000000000e+00 | 1.343545000000000e+00 | 7.249999999999999e-08 | 0.000000000000000e+00 | PASS |
| Geometry Si2-y | 1.343545000000000e+00 | 1.343545000000000e+00 | 7.249999999999999e-08 | 0.000000000000000e+00 | PASS |
| Geometry Si2-z | 1.343545000000000e+00 | 1.343545000000000e+00 | 7.249999999999999e-08 | 0.000000000000000e+00 | PASS |