Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run eb_foss-2022a_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] -1.014064572817561e+01 -1.014064572817560e+01 5.070000000000000e-14 -1.243449787580175e-14 PASS
Energy [step 10] -1.013378662931814e+01 -1.013378662931820e+01 5.070000000000000e-13 5.506706202140776e-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] 0.000000000000000e+00 -1.039108394869460e-15 3.830000000000000e-15 1.039108394869460e-15 PASS
Dipole [step 5] -3.955589211257100e-01 -3.955589211257070e-01 1.980000000000000e-14 -2.942091015256665e-15 PASS
Dipole [step 10] -7.406769413990215e-01 -7.406769413990340e-01 3.700000000000000e-14 1.243449787580175e-14 PASS
Dipole [step 15] -1.039087772402135e+00 -1.039087772402140e+00 5.200000000000000e-14 4.440892098500626e-15 PASS
Dipole [step 20] -1.295835165527734e+00 -1.295835165527720e+00 6.480000000000000e-14 -1.354472090042691e-14 PASS
Compare to other inputs