Input 15-crank_nicolson.05-freeze_sae.inp

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > Run spack_foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -5.571785867387214e-01 -5.571785867386825e-01 6.260000000000001e-14 -3.896882816434299e-14 PASS
Energy [step 5] -5.157175387707390e-01 -5.157175387707220e-01 5.360000000000000e-14 -1.698641227676490e-14 PASS
Energy [step 10] -5.157175387706102e-01 -5.157175387705686e-01 4.190000000000000e-14 -4.163336342344337e-14 PASS
Energy [step 15] -5.157175387705454e-01 -5.157175387705311e-01 4.380000000000000e-14 -1.432187701766452e-14 PASS
Energy [step 20] -5.157175387705782e-01 -5.157175387705559e-01 4.870000000000000e-14 -2.231548279496565e-14 PASS
Dipole [step 1] 7.147453405498792e-16 -7.379220068245151e-16 2.960000000000000e-15 1.452667347374394e-15 PASS
Dipole [step 5] -1.928249235315491e-01 -1.928249235315500e-01 9.640000000000000e-14 8.881784197001252e-16 PASS
Dipole [step 10] -3.545506487499304e-01 -3.545506487499300e-01 1.770000000000000e-14 -4.440892098500626e-16 PASS
Dipole [step 15] -4.859711921536405e-01 -4.859711921536400e-01 2.430000000000000e-14 -4.996003610813204e-16 PASS
Dipole [step 20] -6.087147749202610e-01 -6.087147749202590e-01 3.040000000000000e-14 -1.998401444325282e-15 PASS
Compare to other inputs