Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 567670ad21bfa0dcf9eec7f6790e7f8f129ccb1e > Run intel-2022b

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022654035874430e+01 -1.022654035874430e+01 5.110000000000000e-13 3.552713678800501e-15 PASS
Energy [step 5] -1.014064572817562e+01 -1.014064572817560e+01 5.070000000000000e-14 -2.309263891220326e-14 PASS
Energy [step 10] -1.013378662931818e+01 -1.013378662931820e+01 5.070000000000000e-13 1.953992523340276e-14 PASS
Energy [step 15] -1.012560361793024e+01 -1.012560361792900e+01 5.060000000000000e-12 -1.236344360222574e-12 PASS
Energy [step 20] -1.011736675688520e+01 -1.011736675688520e+01 5.060000000000000e-13 -3.552713678800501e-15 PASS
Dipole [step 1] 3.402951748512906e-16 -1.039108394869460e-15 3.830000000000000e-15 1.379403569720751e-15 PASS
Dipole [step 5] -3.955589211257090e-01 -3.955589211257070e-01 1.980000000000000e-14 -1.998401444325282e-15 PASS
Dipole [step 10] -7.406769413990220e-01 -7.406769413990340e-01 3.700000000000000e-14 1.199040866595169e-14 PASS
Dipole [step 15] -1.039087772402135e+00 -1.039087772402140e+00 5.200000000000000e-14 5.329070518200751e-15 PASS
Dipole [step 20] -1.295835165527720e+00 -1.295835165527720e+00 6.480000000000000e-14 2.220446049250313e-16 PASS
Compare to other inputs