Input 15-crank_nicolson.05-freeze_sae.inp

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -5.571785867386886e-01 -5.571785867386825e-01 6.260000000000001e-14 -6.106226635438361e-15 PASS
Energy [step 5] -5.157175387707381e-01 -5.157175387707220e-01 5.360000000000000e-14 -1.609823385706477e-14 PASS
Energy [step 10] -5.157175387705756e-01 -5.157175387705686e-01 4.190000000000000e-14 -6.994405055138486e-15 PASS
Energy [step 15] -5.157175387705294e-01 -5.157175387705311e-01 4.380000000000000e-14 1.665334536937735e-15 PASS
Energy [step 20] -5.157175387705489e-01 -5.157175387705559e-01 4.870000000000000e-14 6.994405055138486e-15 PASS
Dipole [step 1] 1.345833448347265e-15 -7.379220068245151e-16 2.960000000000000e-15 2.083755455171780e-15 PASS
Dipole [step 5] -1.928249235315485e-01 -1.928249235315500e-01 9.640000000000000e-14 1.498801083243961e-15 PASS
Dipole [step 10] -3.545506487499286e-01 -3.545506487499300e-01 1.770000000000000e-14 1.387778780781446e-15 PASS
Dipole [step 15] -4.859711921536386e-01 -4.859711921536400e-01 2.430000000000000e-14 1.387778780781446e-15 PASS
Dipole [step 20] -6.087147749202566e-01 -6.087147749202590e-01 3.040000000000000e-14 2.442490654175344e-15 PASS
Compare to other inputs