Input 15-crank_nicolson.05-freeze_sae.inp

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Run foss_min_autotools: [foss2023b-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -5.571938259894113e-01 -5.571938259894010e-01 2.390000000000000e-14 -1.021405182655144e-14 PASS
Energy [step 5] -5.157327347418587e-01 -5.157327347418511e-01 2.490000000000000e-14 -7.549516567451064e-15 PASS
Energy [step 10] -5.157327347417219e-01 -5.157327347416979e-01 3.030000000000000e-14 -2.398081733190338e-14 PASS
Energy [step 15] -5.157327347416455e-01 -5.157327347416708e-01 2.780000000000000e-14 2.531308496145357e-14 PASS
Energy [step 20] -5.157327347416837e-01 -5.157327347416979e-01 4.100000000000000e-14 1.421085471520200e-14 PASS
Dipole [step 1] -1.576976769383353e-15 -7.379220068245151e-16 5.560000000000000e-15 -8.390547625588379e-16 PASS
Dipole [step 5] -1.928247888208909e-01 -1.928247888208892e-01 4.590000000000000e-15 -1.720845688168993e-15 PASS
Dipole [step 10] -3.545495747886697e-01 -3.545495747886674e-01 4.430000000000000e-15 -2.275957200481571e-15 PASS
Dipole [step 15] -4.859689858458489e-01 -4.859689858458459e-01 4.950000000000000e-15 -2.997602166487923e-15 PASS
Dipole [step 20] -6.087120870676923e-01 -6.087120870676892e-01 6.960000000000000e-15 -3.108624468950438e-15 PASS
Compare to other inputs