Input 33-go_shape.02-Si_cell_only.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2023a_mpi_opt

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
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