Input 33-go_shape.01-Si.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2023a_mpi_debug

Matches

Name Value Reference Precision Difference Status
Total energy -7.929654820000000e+00 -7.929654820000000e+00 2.090000000000000e-07 0.000000000000000e+00 PASS
Force [x] 6.763971910000000e-08 6.763972000000001e-08 2.350000000000000e-08 -9.000000085587003e-16 PASS
Force [y] 6.763971920000001e-08 6.763972049999999e-08 2.350000000000000e-08 -1.299999988833874e-15 PASS
Force [z] 6.763972120000000e-08 6.763972049999999e-08 2.350000000000000e-08 7.000000051862236e-16 PASS
Force [x] -6.763971910000000e-08 -6.763972000000001e-08 2.350000000000000e-08 9.000000085587003e-16 PASS
Force [y] -6.763971920000001e-08 -6.763972049999999e-08 2.350000000000000e-08 1.299999988833874e-15 PASS
Force [z] -6.763972120000000e-08 -6.763972049999999e-08 2.350000000000000e-08 -7.000000051862236e-16 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
Compare to other inputs