Input 15-crank_nicolson.03-freeze_domains.inp

Commits > Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 > Run eb_foss-2022b_libxc6_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022654035874431e+01 -1.022654035874430e+01 5.110000000000000e-13 -1.065814103640150e-14 PASS
Energy [step 5] -1.014064572817562e+01 -1.014064572817560e+01 5.070000000000000e-14 -1.598721155460225e-14 PASS
Energy [step 10] -1.013378662931815e+01 -1.013378662931820e+01 5.070000000000000e-13 5.329070518200751e-14 PASS
Energy [step 15] -1.012560361793024e+01 -1.012560361792900e+01 5.060000000000000e-12 -1.238120717061975e-12 PASS
Energy [step 20] -1.011736675688520e+01 -1.011736675688520e+01 5.060000000000000e-13 0.000000000000000e+00 PASS
Dipole [step 1] 2.220446049250313e-15 -7.216449660063501e-16 3.720000000000000e-15 2.942091015256663e-15 PASS
Dipole [step 5] -3.955589211257082e-01 -3.955589211257070e-01 1.980000000000000e-14 -1.221245327087672e-15 PASS
Dipole [step 10] -7.406769413990202e-01 -7.406769413990340e-01 3.700000000000000e-14 1.376676550535194e-14 PASS
Dipole [step 15] -1.039087772402135e+00 -1.039087772402140e+00 5.200000000000000e-14 5.329070518200751e-15 PASS
Dipole [step 20] -1.295835165527732e+00 -1.295835165527720e+00 6.480000000000000e-14 -1.199040866595169e-14 PASS
Compare to other inputs