Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit a4341ac9f169107ec4cef5019cc6269df7c401ac > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022654035874431e+01 -1.022654035874430e+01 5.110000000000000e-13 -1.421085471520200e-14 PASS
Energy [step 5] -1.014064572817562e+01 -1.014064572817560e+01 5.070000000000000e-14 -1.598721155460225e-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] 3.335005882565412e-16 -1.039108394869460e-15 5.830000000000000e-15 1.372608983126001e-15 PASS
Dipole [step 5] -3.955589211257085e-01 -3.955589211257070e-01 1.980000000000000e-14 -1.443289932012704e-15 PASS
Dipole [step 10] -7.406769413990211e-01 -7.406769413990340e-01 3.700000000000000e-14 1.287858708565182e-14 PASS
Dipole [step 15] -1.039087772402137e+00 -1.039087772402140e+00 5.200000000000000e-14 3.330669073875470e-15 PASS
Dipole [step 20] -1.295835165527736e+00 -1.295835165527720e+00 6.480000000000000e-14 -1.598721155460225e-14 PASS
Compare to other inputs