Input 33-go_shape.03-Si_par_domains.inp

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Run foss_cmake: [foss2022a-mpi, foss-full-mpi]

Matches

Name Value Reference Precision Difference Status
Total energy -7.929655080000000e+00 -7.929655080000000e+00 3.960000000000000e-07 0.000000000000000e+00 PASS
Force [x] 1.126423380000000e-14 1.060048700000000e-14 9.400000000000001e-16 6.637467999999996e-16 PASS
Force [y] 1.123742470000000e-14 1.077718659000000e-14 8.890000000000000e-16 4.602381099999985e-16 PASS
Force [z] 1.149439980000000e-14 1.159580000000000e-14 1.390000000000000e-15 -1.014002000000012e-16 PASS
Force [x] -1.126423380000000e-14 -1.060048700000000e-14 9.400000000000001e-16 -6.637467999999996e-16 PASS
Force [y] -1.123742470000000e-14 -1.077718659000000e-14 8.890000000000000e-16 -4.602381099999985e-16 PASS
Force [z] -1.149439980000000e-14 -1.159580000000000e-14 1.390000000000000e-15 1.014002000000012e-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
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
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