Input 16-sparskit.02-kick.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run intel-2022b_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056698e+01 -1.058495024056700e+01 5.290000000000000e-14 2.131628207280301e-14 PASS
Energy [step 5] -1.042950048806358e+01 -1.042950048806360e+01 5.210000000000000e-14 2.131628207280301e-14 PASS
Energy [step 10] -1.042949458890975e+01 -1.042949458890970e+01 5.210000000000000e-13 -5.329070518200751e-14 PASS
Energy [step 15] -1.042949286373714e+01 -1.042949286373710e+01 5.210000000000000e-13 -3.730349362740526e-14 PASS
Energy [step 20] -1.042949290569555e+01 -1.042949290569560e+01 5.210000000000000e-13 4.796163466380676e-14 PASS
Dipole [step 1] 1.332267629550188e-15 -4.333620525691201e-16 7.190000000000000e-15 1.765629682119308e-15 PASS
Dipole [step 5] -7.295378300608409e-01 -7.295378300608580e-01 3.650000000000000e-14 1.709743457922741e-14 PASS
Dipole [step 10] -1.339265738796745e+00 -1.339265738796780e+00 1.000000000000000e-10 3.463895836830488e-14 PASS
Dipole [step 15] -1.833833130199213e+00 -1.833833130199210e+00 9.170000000000000e-14 -3.108624468950438e-15 PASS
Dipole [step 20] -2.215306184110935e+00 -2.215306184110940e+00 1.110000000000000e-13 4.440892098500626e-15 PASS
Compare to other inputs