Input 15-crank_nicolson.05-freeze_sae.inp

Commits > Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 > Run intel_mpi_omp_autotools: [intel2022a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -5.571938259893979e-01 -5.571938259894010e-01 2.390000000000000e-14 3.108624468950438e-15 PASS
Energy [step 5] -5.157327347418400e-01 -5.157327347418511e-01 2.490000000000000e-14 1.110223024625157e-14 PASS
Energy [step 10] -5.157327347416970e-01 -5.157327347416979e-01 3.030000000000000e-14 8.881784197001252e-16 PASS
Energy [step 15] -5.157327347416695e-01 -5.157327347416708e-01 2.780000000000000e-14 1.332267629550188e-15 PASS
Energy [step 20] -5.157327347416846e-01 -5.157327347416979e-01 4.100000000000000e-14 1.332267629550188e-14 PASS
Dipole [step 1] 4.319919422179908e-15 -7.379220068245151e-16 5.560000000000000e-15 5.057841429004423e-15 PASS
Dipole [step 5] -1.928247888208850e-01 -1.928247888208892e-01 4.590000000000000e-15 4.191091917959966e-15 PASS
Dipole [step 10] -3.545495747886634e-01 -3.545495747886674e-01 4.430000000000000e-15 3.941291737419306e-15 PASS
Dipole [step 15] -4.859689858458414e-01 -4.859689858458459e-01 4.950000000000000e-15 4.551914400963142e-15 PASS
Dipole [step 20] -6.087120870676850e-01 -6.087120870676892e-01 6.960000000000000e-15 4.218847493575595e-15 PASS
Compare to other inputs