Input 15-crank_nicolson.05-freeze_sae.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_foss-2022a_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -5.571785867386770e-01 -5.571785867386825e-01 6.260000000000001e-14 5.440092820663267e-15 PASS
Energy [step 5] -5.157175387707452e-01 -5.157175387707220e-01 5.360000000000000e-14 -2.320366121466577e-14 PASS
Energy [step 10] -5.157175387705774e-01 -5.157175387705686e-01 4.190000000000000e-14 -8.770761894538737e-15 PASS
Energy [step 15] -5.157175387705027e-01 -5.157175387705311e-01 4.380000000000000e-14 2.831068712794149e-14 PASS
Energy [step 20] -5.157175387705454e-01 -5.157175387705559e-01 4.870000000000000e-14 1.054711873393899e-14 PASS
Dipole [step 1] -1.116379022916576e-15 -7.379220068245151e-16 2.960000000000000e-15 -3.784570160920605e-16 PASS
Dipole [step 5] -1.928249235315497e-01 -1.928249235315500e-01 9.640000000000000e-14 2.775557561562891e-16 PASS
Dipole [step 10] -3.545506487499301e-01 -3.545506487499300e-01 1.770000000000000e-14 -1.665334536937735e-16 PASS
Dipole [step 15] -4.859711921536397e-01 -4.859711921536400e-01 2.430000000000000e-14 3.330669073875470e-16 PASS
Dipole [step 20] -6.087147749202615e-01 -6.087147749202590e-01 3.040000000000000e-14 -2.442490654175344e-15 PASS
Compare to other inputs