Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit b7dcc99023940be2b83de00317ffa33e598f3f55 > Run foss_opt_autotools: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022657179873566e+01 -1.022657179873567e+01 1.020000000000000e-13 5.329070518200751e-15 PASS
Energy [step 5] -1.014067705119931e+01 -1.014067705119932e+01 1.010000000000000e-13 7.105427357601002e-15 PASS
Energy [step 10] -1.013381790798761e+01 -1.013381790798763e+01 1.010000000000000e-13 1.776356839400250e-14 PASS
Energy [step 15] -1.012563491015762e+01 -1.012563491015765e+01 1.010000000000000e-13 3.197442310920451e-14 PASS
Energy [step 20] -1.011739812323842e+01 -1.011739812323845e+01 1.010000000000000e-13 3.019806626980426e-14 PASS
Dipole [step 1] -1.673628398954179e-15 -1.039108394869460e-15 5.830000000000000e-15 -6.345200040847185e-16 PASS
Dipole [step 5] -3.955586853259918e-01 -3.955586853259905e-01 6.110000000000000e-15 -1.332267629550188e-15 PASS
Dipole [step 10] -7.406750729061529e-01 -7.406750729061549e-01 7.410000000000000e-15 1.998401444325282e-15 PASS
Dipole [step 15] -1.039084057464594e+00 -1.039084057464601e+00 1.140000000000000e-14 7.327471962526033e-15 PASS
Dipole [step 20] -1.295829936532781e+00 -1.295829936532786e+00 1.300000000000000e-14 5.329070518200751e-15 PASS
Compare to other inputs