Input 33-go_shape.03-Si_par_domains.inp

Commits > Commit 98d0ca144537205e7b2aa0b44074de55ddb8c97d > Run foss_cmake: [foss2022a-serial, foss-full]

Matches

Name Value Reference Precision Difference Status
Total energy -7.929646960000000e+00 -7.929646960000001e+00 7.930000000000000e-14 8.881784197001252e-16 PASS
Force [x] 3.369898380000000e-15 4.290618700000000e-15 2.360000000000000e-15 -9.207203199999996e-16 PASS
Force [y] 3.995893440000000e-15 4.121812400000000e-15 1.300000000000000e-15 -1.259189600000005e-16 PASS
Force [z] 3.833437190000000e-15 4.134157040000000e-15 1.340000000000000e-15 -3.007198499999999e-16 PASS
Force [x] -3.369898380000000e-15 -4.290618700000000e-15 2.360000000000000e-15 9.207203199999996e-16 PASS
Force [y] -3.995893440000000e-15 -4.121812400000000e-15 1.300000000000000e-15 1.259189600000005e-16 PASS
Force [z] -3.833437190000000e-15 -4.134157040000000e-15 1.340000000000000e-15 3.007198499999999e-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
Compare to other inputs