Input 15-crank_nicolson.05-freeze_sae.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -5.571785867386815e-01 -5.571785867386825e-01 6.260000000000001e-14 9.992007221626409e-16 PASS
Energy [step 5] -5.157175387707301e-01 -5.157175387707220e-01 5.360000000000000e-14 -8.104628079763643e-15 PASS
Energy [step 10] -5.157175387705694e-01 -5.157175387705686e-01 4.190000000000000e-14 -7.771561172376096e-16 PASS
Energy [step 15] -5.157175387705303e-01 -5.157175387705311e-01 4.380000000000000e-14 7.771561172376096e-16 PASS
Energy [step 20] -5.157175387705516e-01 -5.157175387705559e-01 4.870000000000000e-14 4.329869796038111e-15 PASS
Dipole [step 1] -2.888220552381813e-15 -7.379220068245151e-16 2.960000000000000e-15 -2.150298545557298e-15 PASS
Dipole [step 5] -1.928249235315521e-01 -1.928249235315500e-01 9.640000000000000e-14 -2.053912595556540e-15 PASS
Dipole [step 10] -3.545506487499319e-01 -3.545506487499300e-01 1.770000000000000e-14 -1.942890293094024e-15 PASS
Dipole [step 15] -4.859711921536422e-01 -4.859711921536400e-01 2.430000000000000e-14 -2.164934898019055e-15 PASS
Dipole [step 20] -6.087147749202603e-01 -6.087147749202590e-01 3.040000000000000e-14 -1.221245327087672e-15 PASS
Compare to other inputs