Input 16-sparskit.02-kick.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run spack_foss-2022a_serial_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056696e+01 -1.058495024056700e+01 5.290000000000000e-14 4.440892098500626e-14 PASS
Energy [step 5] -1.042950048806359e+01 -1.042950048806360e+01 5.210000000000000e-14 7.105427357601002e-15 PASS
Energy [step 10] -1.042949458890976e+01 -1.042949458890970e+01 5.210000000000000e-13 -6.039613253960852e-14 PASS
Energy [step 15] -1.042949286373713e+01 -1.042949286373710e+01 5.210000000000000e-13 -3.375077994860476e-14 PASS
Energy [step 20] -1.042949290569552e+01 -1.042949290569560e+01 5.210000000000000e-13 8.348877145181177e-14 PASS
Dipole [step 1] -4.298559677152515e-15 -4.333620525691201e-16 7.190000000000000e-15 -3.865197624583395e-15 PASS
Dipole [step 5] -7.295378300608468e-01 -7.295378300608580e-01 3.650000000000000e-14 1.121325254871408e-14 PASS
Dipole [step 10] -1.339265738796754e+00 -1.339265738796780e+00 1.000000000000000e-10 2.620126338115369e-14 PASS
Dipole [step 15] -1.833833130199217e+00 -1.833833130199210e+00 9.170000000000000e-14 -7.327471962526033e-15 PASS
Dipole [step 20] -2.215306184110946e+00 -2.215306184110940e+00 1.110000000000000e-13 -6.661338147750939e-15 PASS
Compare to other inputs