Input 33-go_shape.01-Si.inp

Commits > Commit 08a5f74afd5d598cfac916cc3bce9be78be030c2 > Run foss_mpi_omp_autotools: [foss2023a-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] 3.670424200000000e-15 4.244545700000000e-15 2.060000000000000e-15 -5.741214999999997e-16 PASS
Force [y] 3.716362140000000e-15 4.536126500000000e-15 1.760000000000000e-15 -8.197643600000005e-16 PASS
Force [z] 3.899276830000000e-15 4.500901595000000e-15 1.740000000000000e-15 -6.016247649999996e-16 PASS
Force [x] -3.670424200000000e-15 -4.244545700000000e-15 2.060000000000000e-15 5.741214999999997e-16 PASS
Force [y] -3.716362140000000e-15 -4.536126500000000e-15 1.760000000000000e-15 8.197643600000005e-16 PASS
Force [z] -3.899276830000000e-15 -4.500901595000000e-15 1.740000000000000e-15 6.016247649999996e-16 PASS
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