Input 15-crank_nicolson.05-freeze_sae.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -5.571785867386913e-01 -5.571785867386825e-01 6.260000000000001e-14 -8.770761894538737e-15 PASS
Energy [step 5] -5.157175387707159e-01 -5.157175387707220e-01 5.360000000000000e-14 6.106226635438361e-15 PASS
Energy [step 10] -5.157175387705782e-01 -5.157175387705686e-01 4.190000000000000e-14 -9.658940314238862e-15 PASS
Energy [step 15] -5.157175387705401e-01 -5.157175387705311e-01 4.380000000000000e-14 -8.992806499463768e-15 PASS
Energy [step 20] -5.157175387705418e-01 -5.157175387705559e-01 4.870000000000000e-14 1.409983241273949e-14 PASS
Dipole [step 1] 1.038960435895384e-15 -7.379220068245151e-16 2.960000000000000e-15 1.776882442719899e-15 PASS
Dipole [step 5] -1.928249235315480e-01 -1.928249235315500e-01 9.640000000000000e-14 1.998401444325282e-15 PASS
Dipole [step 10] -3.545506487499284e-01 -3.545506487499300e-01 1.770000000000000e-14 1.609823385706477e-15 PASS
Dipole [step 15] -4.859711921536395e-01 -4.859711921536400e-01 2.430000000000000e-14 4.440892098500626e-16 PASS
Dipole [step 20] -6.087147749202585e-01 -6.087147749202590e-01 3.040000000000000e-14 5.551115123125783e-16 PASS
Compare to other inputs