Input 16-sparskit.02-kick.inp

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run spack_foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056695e+01 -1.058495024056700e+01 1.060000000000000e-13 5.329070518200751e-14 PASS
Energy [step 5] -1.042950048806358e+01 -1.042950048806360e+01 5.210000000000000e-14 1.953992523340276e-14 PASS
Energy [step 10] -1.042949458890976e+01 -1.042949458890970e+01 5.210000000000000e-13 -5.684341886080801e-14 PASS
Energy [step 15] -1.042949286373712e+01 -1.042949286373710e+01 5.210000000000000e-13 -2.309263891220326e-14 PASS
Energy [step 20] -1.042949290569551e+01 -1.042949290569560e+01 5.210000000000000e-13 8.881784197001252e-14 PASS
Dipole [step 1] 2.684213142283963e-15 -4.333620525691201e-16 7.190000000000000e-15 3.117575194853083e-15 PASS
Dipole [step 5] -7.295378300608419e-01 -7.295378300608580e-01 3.650000000000000e-14 1.609823385706477e-14 PASS
Dipole [step 10] -1.339265738796748e+00 -1.339265738796780e+00 1.000000000000000e-10 3.175237850427948e-14 PASS
Dipole [step 15] -1.833833130199219e+00 -1.833833130199210e+00 9.170000000000000e-14 -9.547918011776346e-15 PASS
Dipole [step 20] -2.215306184110943e+00 -2.215306184110940e+00 1.110000000000000e-13 -3.552713678800501e-15 PASS
Compare to other inputs