Input 33-go_shape.02-Si_cell_only.inp

Commits > Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 > 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] 3.413544450000000e-15 3.844812010000000e-15 2.160000000000000e-15 -4.312675600000000e-16 PASS
Force [y] 4.065830220000000e-15 3.643022600000000e-15 1.870000000000000e-15 4.228076199999999e-16 PASS
Force [z] 3.945116680000000e-15 4.149743300000000e-15 1.660000000000000e-15 -2.046266199999994e-16 PASS
Force [x] -3.413544450000000e-15 -3.844812010000000e-15 2.160000000000000e-15 4.312675600000000e-16 PASS
Force [y] -4.065830220000000e-15 -3.643022600000000e-15 1.870000000000000e-15 -4.228076199999999e-16 PASS
Force [z] -3.945116680000000e-15 -4.149743300000000e-15 1.660000000000000e-15 2.046266199999994e-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