Input 16-sparskit.02-kick.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056698e+01 -1.058495024056700e+01 1.060000000000000e-13 1.598721155460225e-14 PASS
Energy [step 5] -1.042950048806359e+01 -1.042950048806360e+01 5.210000000000000e-14 1.065814103640150e-14 PASS
Energy [step 10] -1.042949458890975e+01 -1.042949458890970e+01 5.210000000000000e-13 -5.506706202140776e-14 PASS
Energy [step 15] -1.042949286373713e+01 -1.042949286373710e+01 5.210000000000000e-13 -2.842170943040401e-14 PASS
Energy [step 20] -1.042949290569555e+01 -1.042949290569560e+01 5.210000000000000e-13 4.973799150320701e-14 PASS
Dipole [step 1] 4.229255834431456e-15 -4.333620525691201e-16 7.190000000000000e-15 4.662617887000576e-15 PASS
Dipole [step 5] -7.295378300608384e-01 -7.295378300608580e-01 3.650000000000000e-14 1.965094753586527e-14 PASS
Dipole [step 10] -1.339265738796743e+00 -1.339265738796780e+00 1.000000000000000e-10 3.663735981263017e-14 PASS
Dipole [step 15] -1.833833130199211e+00 -1.833833130199210e+00 9.170000000000000e-14 -8.881784197001252e-16 PASS
Dipole [step 20] -2.215306184110932e+00 -2.215306184110940e+00 1.110000000000000e-13 7.549516567451064e-15 PASS
Compare to other inputs