Input 16-sparskit.02-kick.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2023a_serial_debug

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] -1.042950048806359e+01 -1.042950048806360e+01 5.210000000000000e-14 5.329070518200751e-15 PASS
Energy [step 10] -1.042949458890976e+01 -1.042949458890970e+01 5.210000000000000e-13 -6.394884621840902e-14 PASS
Energy [step 15] -1.042949286373713e+01 -1.042949286373710e+01 5.210000000000000e-13 -3.197442310920451e-14 PASS
Energy [step 20] -1.042949290569552e+01 -1.042949290569560e+01 5.210000000000000e-13 7.993605777301127e-14 PASS
Dipole [step 1] -1.323319322773641e-15 -4.333620525691201e-16 7.190000000000000e-15 -8.899572702045209e-16 PASS
Dipole [step 5] -7.295378300608442e-01 -7.295378300608580e-01 3.650000000000000e-14 1.387778780781446e-14 PASS
Dipole [step 10] -1.339265738796751e+00 -1.339265738796780e+00 1.000000000000000e-10 2.908784324517910e-14 PASS
Dipole [step 15] -1.833833130199217e+00 -1.833833130199210e+00 9.170000000000000e-14 -6.883382752675971e-15 PASS
Dipole [step 20] -2.215306184110945e+00 -2.215306184110940e+00 1.110000000000000e-13 -4.884981308350689e-15 PASS
Compare to other inputs