Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Run spack_foss-2023a_serial_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022654035874428e+01 -1.022654035874430e+01 5.110000000000000e-13 1.598721155460225e-14 PASS
Energy [step 5] -1.014064572817562e+01 -1.014064572817560e+01 5.070000000000000e-14 -2.486899575160351e-14 PASS
Energy [step 10] -1.013378662931815e+01 -1.013378662931820e+01 5.070000000000000e-13 5.151434834260726e-14 PASS
Energy [step 15] -1.012560361793022e+01 -1.012560361792900e+01 5.060000000000000e-12 -1.223909862346773e-12 PASS
Energy [step 20] -1.011736675688520e+01 -1.011736675688520e+01 5.060000000000000e-13 -3.552713678800501e-15 PASS
Dipole [step 1] -3.463330818420825e-15 -1.039108394869460e-15 5.830000000000000e-15 -2.424222423551365e-15 PASS
Dipole [step 5] -3.955589211257122e-01 -3.955589211257070e-01 1.980000000000000e-14 -5.162537064506978e-15 PASS
Dipole [step 10] -7.406769413990251e-01 -7.406769413990340e-01 3.700000000000000e-14 8.881784197001252e-15 PASS
Dipole [step 15] -1.039087772402138e+00 -1.039087772402140e+00 5.200000000000000e-14 2.220446049250313e-15 PASS
Dipole [step 20] -1.295835165527723e+00 -1.295835165527720e+00 6.480000000000000e-14 -2.664535259100376e-15 PASS
Compare to other inputs