Input 05-forces.02-Na2_go.inp

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.260000000000000e-16 0.000000000000000e+00 PASS
Total energy -3.597996900000000e-01 -3.597996900000000e-01 1.800000000000000e-07 0.000000000000000e+00 PASS
Force [1] -2.707504170000000e-05 -2.707504170000000e-05 1.350000000000000e-12 3.388131789017201e-21 PASS
Force [2] 2.707504170000000e-05 2.707504170000000e-05 1.350000000000000e-12 -3.388131789017201e-21 PASS
Geometry [1] -1.385549000000000e+00 -1.385549000000000e+00 6.930000000000000e-06 2.220446049250313e-16 PASS
Geometry [2] 1.385549000000000e+00 1.385549000000000e+00 6.930000000000000e-06 -2.220446049250313e-16 PASS
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