Input 15-crank_nicolson.05-freeze_sae.inp

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -5.571785867386841e-01 -5.571785867386825e-01 6.260000000000001e-14 -1.665334536937735e-15 PASS
Energy [step 5] -5.157175387707177e-01 -5.157175387707220e-01 5.360000000000000e-14 4.329869796038111e-15 PASS
Energy [step 10] -5.157175387705845e-01 -5.157175387705686e-01 4.190000000000000e-14 -1.587618925213974e-14 PASS
Energy [step 15] -5.157175387705241e-01 -5.157175387705311e-01 4.380000000000000e-14 6.994405055138486e-15 PASS
Energy [step 20] -5.157175387705543e-01 -5.157175387705559e-01 4.870000000000000e-14 1.665334536937735e-15 PASS
Dipole [step 1] 1.096669935039211e-15 -7.379220068245151e-16 2.960000000000000e-15 1.834591941863726e-15 PASS
Dipole [step 5] -1.928249235315477e-01 -1.928249235315500e-01 9.640000000000000e-14 2.303712776097200e-15 PASS
Dipole [step 10] -3.545506487499292e-01 -3.545506487499300e-01 1.770000000000000e-14 7.771561172376096e-16 PASS
Dipole [step 15] -4.859711921536414e-01 -4.859711921536400e-01 2.430000000000000e-14 -1.387778780781446e-15 PASS
Dipole [step 20] -6.087147749202583e-01 -6.087147749202590e-01 3.040000000000000e-14 7.771561172376096e-16 PASS
Compare to other inputs