Input 16-sparskit.02-kick.inp

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056698e+01 -1.058495024056700e+01 1.060000000000000e-13 1.953992523340276e-14 PASS
Energy [step 5] -1.042950048806359e+01 -1.042950048806360e+01 5.210000000000000e-14 1.421085471520200e-14 PASS
Energy [step 10] -1.042949458890975e+01 -1.042949458890970e+01 5.210000000000000e-13 -4.973799150320701e-14 PASS
Energy [step 15] -1.042949286373713e+01 -1.042949286373710e+01 5.210000000000000e-13 -2.664535259100376e-14 PASS
Energy [step 20] -1.042949290569555e+01 -1.042949290569560e+01 5.210000000000000e-13 5.151434834260726e-14 PASS
Dipole [step 1] -1.096345236817342e-15 -4.333620525691201e-16 7.190000000000000e-15 -6.629831842482221e-16 PASS
Dipole [step 5] -7.295378300608439e-01 -7.295378300608580e-01 3.650000000000000e-14 1.409983241273949e-14 PASS
Dipole [step 10] -1.339265738796747e+00 -1.339265738796780e+00 1.000000000000000e-10 3.264055692397960e-14 PASS
Dipole [step 15] -1.833833130199215e+00 -1.833833130199210e+00 9.170000000000000e-14 -4.662936703425657e-15 PASS
Dipole [step 20] -2.215306184110935e+00 -2.215306184110940e+00 1.110000000000000e-13 4.440892098500626e-15 PASS
Compare to other inputs