Input 16-sparskit.02-kick.inp

Commits > Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 > Run spack_foss-2023a_mpi_debug

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056698e+01 -1.058495024056700e+01 1.060000000000000e-13 2.309263891220326e-14 PASS
Energy [step 5] -1.042950048806358e+01 -1.042950048806360e+01 5.210000000000000e-14 1.776356839400250e-14 PASS
Energy [step 10] -1.042949458890976e+01 -1.042949458890970e+01 5.210000000000000e-13 -5.684341886080801e-14 PASS
Energy [step 15] -1.042949286373713e+01 -1.042949286373710e+01 5.210000000000000e-13 -3.019806626980426e-14 PASS
Energy [step 20] -1.042949290569554e+01 -1.042949290569560e+01 5.210000000000000e-13 5.506706202140776e-14 PASS
Dipole [step 1] -4.128641872824801e-16 -4.333620525691201e-16 7.190000000000000e-15 2.049786528663998e-17 PASS
Dipole [step 5] -7.295378300608428e-01 -7.295378300608580e-01 3.650000000000000e-14 1.521005543736464e-14 PASS
Dipole [step 10] -1.339265738796749e+00 -1.339265738796780e+00 1.000000000000000e-10 3.064215547965432e-14 PASS
Dipole [step 15] -1.833833130199216e+00 -1.833833130199210e+00 9.170000000000000e-14 -5.995204332975845e-15 PASS
Dipole [step 20] -2.215306184110930e+00 -2.215306184110940e+00 1.110000000000000e-13 9.769962616701378e-15 PASS
Compare to other inputs