Input 15-crank_nicolson.05-freeze_sae.inp

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -5.571785867386762e-01 -5.571785867386825e-01 6.260000000000001e-14 6.328271240363392e-15 PASS
Energy [step 5] -5.157175387707221e-01 -5.157175387707220e-01 5.360000000000000e-14 -1.110223024625157e-16 PASS
Energy [step 10] -5.157175387705756e-01 -5.157175387705686e-01 4.190000000000000e-14 -6.994405055138486e-15 PASS
Energy [step 15] -5.157175387705383e-01 -5.157175387705311e-01 4.380000000000000e-14 -7.216449660063518e-15 PASS
Energy [step 20] -5.157175387705658e-01 -5.157175387705559e-01 4.870000000000000e-14 -9.880984919163893e-15 PASS
Dipole [step 1] 8.723022561766113e-16 -7.379220068245151e-16 2.960000000000000e-15 1.610224263001126e-15 PASS
Dipole [step 5] -1.928249235315486e-01 -1.928249235315500e-01 9.640000000000000e-14 1.387778780781446e-15 PASS
Dipole [step 10] -3.545506487499276e-01 -3.545506487499300e-01 1.770000000000000e-14 2.386979502944087e-15 PASS
Dipole [step 15] -4.859711921536387e-01 -4.859711921536400e-01 2.430000000000000e-14 1.332267629550188e-15 PASS
Dipole [step 20] -6.087147749202592e-01 -6.087147749202590e-01 3.040000000000000e-14 -1.110223024625157e-16 PASS
Compare to other inputs