Input 33-go_shape.01-Si.inp

Commits > Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 > Run foss_cmake: [foss2023a-mpi, foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
Total energy -7.929646960000000e+00 -7.929646960000001e+00 7.930000000000000e-14 8.881784197001252e-16 PASS
Axis length 7.179000000000000e+00 7.180999999999999e+00 3.590000000000000e-02 -1.999999999998892e-03 PASS
Axis length 7.179000000000000e+00 7.180999999999999e+00 3.590000000000000e-02 -1.999999999998892e-03 PASS
Axis length 7.179000000000000e+00 7.180999999999999e+00 3.590000000000000e-02 -1.999999999998892e-03 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 1.343085000000000e+00 1.343085000000000e+00 1.340000000000000e-14 2.220446049250313e-16 PASS
Geometry Si2-y 1.343085000000000e+00 1.343085000000000e+00 1.340000000000000e-14 2.220446049250313e-16 PASS
Geometry Si2-z 1.343085000000000e+00 1.343085000000000e+00 1.340000000000000e-14 2.220446049250313e-16 PASS
Force [x] 0.000000000000000e+00 0.000000000000000e+00 9.999999999999999e-21 0.000000000000000e+00 PASS
Force [y] 0.000000000000000e+00 0.000000000000000e+00 9.999999999999999e-21 0.000000000000000e+00 PASS
Force [z] 0.000000000000000e+00 0.000000000000000e+00 9.999999999999999e-21 0.000000000000000e+00 PASS
Force [x] 0.000000000000000e+00 0.000000000000000e+00 9.999999999999999e-21 0.000000000000000e+00 PASS
Force [y] 0.000000000000000e+00 0.000000000000000e+00 9.999999999999999e-21 0.000000000000000e+00 PASS
Force [z] 0.000000000000000e+00 0.000000000000000e+00 9.999999999999999e-21 0.000000000000000e+00 PASS
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