Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 > Run foss-mpi-min: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022657179873567e+01 -1.022657179873567e+01 1.020000000000000e-13 1.776356839400250e-15 PASS
Energy [step 5] -1.014067705119931e+01 -1.014067705119932e+01 1.010000000000000e-13 1.243449787580175e-14 PASS
Energy [step 10] -1.013381790798763e+01 -1.013381790798763e+01 1.010000000000000e-13 1.776356839400250e-15 PASS
Energy [step 15] -1.012563491015763e+01 -1.012563491015765e+01 1.010000000000000e-13 2.486899575160351e-14 PASS
Energy [step 20] -1.011739812323844e+01 -1.011739812323845e+01 1.010000000000000e-13 1.065814103640150e-14 PASS
Dipole [step 1] 1.554312234475219e-15 -1.039108394869460e-15 5.830000000000000e-15 2.593420629344679e-15 PASS
Dipole [step 5] -3.955586853259891e-01 -3.955586853259905e-01 6.110000000000000e-15 1.332267629550188e-15 PASS
Dipole [step 10] -7.406750729061521e-01 -7.406750729061549e-01 7.410000000000000e-15 2.775557561562891e-15 PASS
Dipole [step 15] -1.039084057464597e+00 -1.039084057464601e+00 1.140000000000000e-14 3.552713678800501e-15 PASS
Dipole [step 20] -1.295829936532777e+00 -1.295829936532780e+00 1.300000000000000e-14 3.330669073875470e-15 PASS
Compare to other inputs