Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Run spack_foss-2022a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022654035874431e+01 -1.022654035874430e+01 5.110000000000000e-13 -1.065814103640150e-14 PASS
Energy [step 5] -1.014064572817561e+01 -1.014064572817560e+01 5.070000000000000e-14 -1.243449787580175e-14 PASS
Energy [step 10] -1.013378662931814e+01 -1.013378662931820e+01 5.070000000000000e-13 6.217248937900877e-14 PASS
Energy [step 15] -1.012560361793023e+01 -1.012560361792900e+01 5.060000000000000e-12 -1.227462576025573e-12 PASS
Energy [step 20] -1.011736675688519e+01 -1.011736675688520e+01 5.060000000000000e-13 7.105427357601002e-15 PASS
Dipole [step 1] -2.296773882193293e-15 -1.039108394869460e-15 3.830000000000000e-15 -1.257665487323833e-15 PASS
Dipole [step 5] -3.955589211257108e-01 -3.955589211257070e-01 1.980000000000000e-14 -3.774758283725532e-15 PASS
Dipole [step 10] -7.406769413990235e-01 -7.406769413990340e-01 3.700000000000000e-14 1.043609643147647e-14 PASS
Dipole [step 15] -1.039087772402136e+00 -1.039087772402140e+00 5.200000000000000e-14 3.552713678800501e-15 PASS
Dipole [step 20] -1.295835165527733e+00 -1.295835165527720e+00 6.480000000000000e-14 -1.265654248072678e-14 PASS
Compare to other inputs