Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit ad9fcbdd35c8d08e16e213263c476bba0afb770b > Run spack_foss-2023a_mpi_debug

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 -1.776356839400250e-14 PASS
Energy [step 10] -1.013378662931814e+01 -1.013378662931820e+01 5.070000000000000e-13 5.506706202140776e-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 0.000000000000000e+00 PASS
Dipole [step 1] -1.108054620280186e-15 -1.039108394869460e-15 5.830000000000000e-15 -6.894622541072551e-17 PASS
Dipole [step 5] -3.955589211257096e-01 -3.955589211257070e-01 1.980000000000000e-14 -2.609024107869118e-15 PASS
Dipole [step 10] -7.406769413990223e-01 -7.406769413990340e-01 3.700000000000000e-14 1.165734175856414e-14 PASS
Dipole [step 15] -1.039087772402136e+00 -1.039087772402140e+00 5.200000000000000e-14 3.552713678800501e-15 PASS
Dipole [step 20] -1.295835165527735e+00 -1.295835165527720e+00 6.480000000000000e-14 -1.509903313490213e-14 PASS
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