Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022654035874432e+01 -1.022654035874430e+01 5.110000000000000e-13 -1.598721155460225e-14 PASS
Energy [step 5] -1.014064572817562e+01 -1.014064572817560e+01 5.070000000000000e-14 -1.776356839400250e-14 PASS
Energy [step 10] -1.013378662931815e+01 -1.013378662931820e+01 5.070000000000000e-13 5.329070518200751e-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 1.776356839400250e-15 PASS
Dipole [step 1] 1.110223024625157e-16 -1.039108394869460e-15 5.830000000000000e-15 1.150130697331976e-15 PASS
Dipole [step 5] -3.955589211257104e-01 -3.955589211257070e-01 1.980000000000000e-14 -3.441691376337985e-15 PASS
Dipole [step 10] -7.406769413990221e-01 -7.406769413990340e-01 3.700000000000000e-14 1.187938636348917e-14 PASS
Dipole [step 15] -1.039087772402136e+00 -1.039087772402140e+00 5.200000000000000e-14 3.552713678800501e-15 PASS
Dipole [step 20] -1.295835165527734e+00 -1.295835165527720e+00 6.480000000000000e-14 -1.376676550535194e-14 PASS
Compare to other inputs