Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 > Run foss-mpi-min: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022657179873566e+01 -1.022657179873567e+01 1.020000000000000e-13 1.065814103640150e-14 PASS
Energy [step 5] -1.014067705119930e+01 -1.014067705119932e+01 1.010000000000000e-13 1.953992523340276e-14 PASS
Energy [step 10] -1.013381790798762e+01 -1.013381790798763e+01 1.010000000000000e-13 1.065814103640150e-14 PASS
Energy [step 15] -1.012563491015761e+01 -1.012563491015765e+01 1.010000000000000e-13 3.730349362740526e-14 PASS
Energy [step 20] -1.011739812323843e+01 -1.011739812323845e+01 1.010000000000000e-13 2.131628207280301e-14 PASS
Dipole [step 1] 4.440892098500626e-15 -1.039108394869460e-15 5.830000000000000e-15 5.480000493370086e-15 PASS
Dipole [step 5] -3.955586853259888e-01 -3.955586853259905e-01 6.110000000000000e-15 1.665334536937735e-15 PASS
Dipole [step 10] -7.406750729061485e-01 -7.406750729061549e-01 7.410000000000000e-15 6.328271240363392e-15 PASS
Dipole [step 15] -1.039084057464594e+00 -1.039084057464601e+00 1.140000000000000e-14 7.327471962526033e-15 PASS
Dipole [step 20] -1.295829936532772e+00 -1.295829936532780e+00 1.300000000000000e-14 7.549516567451064e-15 PASS
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