Input 33-go_shape.02-Si_cell_only.inp

Commits > Commit c335ce26b11dabfe3619506d15cfc1285f92daaf > Run foss_ppc_autotools: [foss2022a-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] 2.244480110000000e-15 3.844812010000000e-15 2.160000000000000e-15 -1.600331900000000e-15 PASS
Force [y] 2.826835090000000e-15 3.643022600000000e-15 1.870000000000000e-15 -8.161875100000000e-16 PASS
Force [z] 2.862021400000000e-15 3.589139200000000e-15 1.960000000000000e-15 -7.271177999999999e-16 PASS
Force [x] -2.244480110000000e-15 -3.844812010000000e-15 2.160000000000000e-15 1.600331900000000e-15 PASS
Force [y] -2.826835090000000e-15 -3.643022600000000e-15 1.870000000000000e-15 8.161875100000000e-16 PASS
Force [z] -2.862021400000000e-15 -3.589139200000000e-15 1.960000000000000e-15 7.271177999999999e-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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