Input 16-sparskit.02-kick.inp

Commits > Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056695e+01 -1.058495024056700e+01 1.060000000000000e-13 4.796163466380676e-14 PASS
Energy [step 5] -1.042950048806358e+01 -1.042950048806360e+01 5.210000000000000e-14 1.953992523340276e-14 PASS
Energy [step 10] -1.042949458890975e+01 -1.042949458890970e+01 5.210000000000000e-13 -5.151434834260726e-14 PASS
Energy [step 15] -1.042949286373712e+01 -1.042949286373710e+01 5.210000000000000e-13 -2.131628207280301e-14 PASS
Energy [step 20] -1.042949290569551e+01 -1.042949290569560e+01 5.210000000000000e-13 8.526512829121202e-14 PASS
Dipole [step 1] -8.921168857356325e-16 -4.333620525691201e-16 7.190000000000000e-15 -4.587548331665125e-16 PASS
Dipole [step 5] -7.295378300608447e-01 -7.295378300608580e-01 3.650000000000000e-14 1.332267629550188e-14 PASS
Dipole [step 10] -1.339265738796751e+00 -1.339265738796780e+00 1.000000000000000e-10 2.886579864025407e-14 PASS
Dipole [step 15] -1.833833130199219e+00 -1.833833130199210e+00 9.170000000000000e-14 -8.659739592076221e-15 PASS
Dipole [step 20] -2.215306184110946e+00 -2.215306184110940e+00 1.110000000000000e-13 -5.773159728050814e-15 PASS
Compare to other inputs