Input 15-crank_nicolson.03-freeze_domains.inp

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022654035874432e+01 -1.022654035874430e+01 5.110000000000000e-13 -1.953992523340276e-14 PASS
Energy [step 5] -1.014064572817562e+01 -1.014064572817560e+01 5.070000000000000e-14 -2.309263891220326e-14 PASS
Energy [step 10] -1.013378662931815e+01 -1.013378662931820e+01 5.070000000000000e-13 4.618527782440651e-14 PASS
Energy [step 15] -1.012560361793024e+01 -1.012560361792900e+01 5.060000000000000e-12 -1.241673430740775e-12 PASS
Energy [step 20] -1.011736675688521e+01 -1.011736675688520e+01 5.060000000000000e-13 -7.105427357601002e-15 PASS
Dipole [step 1] -4.829470157119431e-15 -7.216449660063501e-16 8.000000000000001e-15 -4.107825191113081e-15 PASS
Dipole [step 5] -3.955589211256879e-01 -3.955589211257070e-01 2.190000000000000e-14 1.909583602355269e-14 PASS
Dipole [step 10] -7.406769413990139e-01 -7.406769413990340e-01 3.700000000000000e-14 2.009503674571533e-14 PASS
Dipole [step 15] -1.039087772402155e+00 -1.039087772402140e+00 5.200000000000000e-14 -1.532107773982716e-14 PASS
Dipole [step 20] -1.295835165527718e+00 -1.295835165527720e+00 6.480000000000000e-14 1.554312234475219e-15 PASS
Projections 2.081668171172169e-17 1.179611963664229e-16 3.610000000000000e-14 -9.714451465470120e-17 PASS
Projections 1.000000000000000e+00 1.000000000000000e+00 3.940000000000000e-14 2.220446049250313e-16 PASS
Compare to other inputs