Input 33-go_shape.03-Si_par_domains.inp

Commits > Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 > Run intel_mpi_omp_autotools: [intel2022a-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] 9.746389190000000e-15 1.060048700000000e-14 9.400000000000001e-16 -8.540978100000014e-16 PASS
Force [y] 1.047125680000000e-14 1.077718659000000e-14 8.890000000000000e-16 -3.059297900000014e-16 PASS
Force [z] 1.038772350000000e-14 1.159580000000000e-14 1.390000000000000e-15 -1.208076500000001e-15 PASS
Force [x] -9.746389190000000e-15 -1.060048700000000e-14 9.400000000000001e-16 8.540978100000014e-16 PASS
Force [y] -1.047125680000000e-14 -1.077718659000000e-14 8.890000000000000e-16 3.059297900000014e-16 PASS
Force [z] -1.038772350000000e-14 -1.159580000000000e-14 1.390000000000000e-15 1.208076500000001e-15 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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