Input 33-go_shape.03-Si_par_domains.inp

Commits > Commit 98d0ca144537205e7b2aa0b44074de55ddb8c97d > Run intel_mpi_autotools: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Total energy -7.929646960000000e+00 -7.929646960000001e+00 7.930000000000000e-14 8.881784197001252e-16 PASS
Force [x] 4.833908480000000e-15 4.290618700000000e-15 2.360000000000000e-15 5.432897800000002e-16 PASS
Force [y] 5.221544220000000e-15 4.121812400000000e-15 1.300000000000000e-15 1.099731820000000e-15 PASS
Force [z] 5.125905140000000e-15 4.134157040000000e-15 1.340000000000000e-15 9.917480999999999e-16 PASS
Force [x] -4.833908480000000e-15 -4.290618700000000e-15 2.360000000000000e-15 -5.432897800000002e-16 PASS
Force [y] -5.221544220000000e-15 -4.121812400000000e-15 1.300000000000000e-15 -1.099731820000000e-15 PASS
Force [z] -5.125905140000000e-15 -4.134157040000000e-15 1.340000000000000e-15 -9.917480999999999e-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
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