Input 33-go_shape.01-Si.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_intel-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Total energy -7.929654820000000e+00 -7.929654820000000e+00 2.090000000000000e-07 0.000000000000000e+00 PASS
Force [x] 6.763972140000000e-08 6.763972000000001e-08 2.350000000000000e-08 1.399999997137557e-15 PASS
Force [y] 6.763972230000000e-08 6.763972049999999e-08 2.350000000000000e-08 1.800000003882511e-15 PASS
Force [z] 6.763972289999999e-08 6.763972049999999e-08 2.350000000000000e-08 2.400000000765051e-15 PASS
Force [x] -6.763972140000000e-08 -6.763972000000001e-08 2.350000000000000e-08 -1.399999997137557e-15 PASS
Force [y] -6.763972230000000e-08 -6.763972049999999e-08 2.350000000000000e-08 -1.800000003882511e-15 PASS
Force [z] -6.763972289999999e-08 -6.763972049999999e-08 2.350000000000000e-08 -2.400000000765051e-15 PASS
Axis length 7.181000000000000e+00 7.181000000000000e+00 2.350000000000000e-08 0.000000000000000e+00 PASS
Axis length 7.181000000000000e+00 7.181000000000000e+00 2.350000000000000e-08 0.000000000000000e+00 PASS
Axis length 7.181000000000000e+00 7.181000000000000e+00 2.350000000000000e-08 0.000000000000000e+00 PASS
Geometry Si1-x 0.000000000000000e+00 0.000000000000000e+00 7.249999999999999e-08 0.000000000000000e+00 PASS
Geometry Si1-y 0.000000000000000e+00 0.000000000000000e+00 7.249999999999999e-08 0.000000000000000e+00 PASS
Geometry Si1-z 0.000000000000000e+00 0.000000000000000e+00 7.249999999999999e-08 0.000000000000000e+00 PASS
Geometry Si2-x 1.343545000000000e+00 1.343545000000000e+00 7.249999999999999e-08 0.000000000000000e+00 PASS
Geometry Si2-y 1.343545000000000e+00 1.343545000000000e+00 7.249999999999999e-08 0.000000000000000e+00 PASS
Geometry Si2-z 1.343545000000000e+00 1.343545000000000e+00 7.249999999999999e-08 0.000000000000000e+00 PASS
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