Input 33-go_shape.03-Si_par_domains.inp

Commits > Commit 98d0ca144537205e7b2aa0b44074de55ddb8c97d > Run intel_autotools: [intel2023a-serial]

Matches

Name Value Reference Precision Difference Status
Total energy -7.929646960000000e+00 -7.929646960000001e+00 7.930000000000000e-14 8.881784197001252e-16 PASS
Force [x] 3.446572270000000e-15 4.290618700000000e-15 2.360000000000000e-15 -8.440464299999998e-16 PASS
Force [y] 3.949780830000000e-15 4.121812400000000e-15 1.300000000000000e-15 -1.720315700000003e-16 PASS
Force [z] 3.819282220000000e-15 4.134157040000000e-15 1.340000000000000e-15 -3.148748200000002e-16 PASS
Force [x] -3.446572270000000e-15 -4.290618700000000e-15 2.360000000000000e-15 8.440464299999998e-16 PASS
Force [y] -3.949780830000000e-15 -4.121812400000000e-15 1.300000000000000e-15 1.720315700000003e-16 PASS
Force [z] -3.819282220000000e-15 -4.134157040000000e-15 1.340000000000000e-15 3.148748200000002e-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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