Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 > Run spack_intel-2022a_impi_omp

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 -2.309263891220326e-14 PASS
Energy [step 10] -1.013378662931815e+01 -1.013378662931820e+01 5.070000000000000e-13 4.796163466380676e-14 PASS
Energy [step 15] -1.012560361793023e+01 -1.012560361792900e+01 5.060000000000000e-12 -1.234568003383174e-12 PASS
Energy [step 20] -1.011736675688519e+01 -1.011736675688520e+01 5.060000000000000e-13 7.105427357601002e-15 PASS
Dipole [step 1] 1.645385216964002e-15 -1.039108394869460e-15 5.830000000000000e-15 2.684493611833462e-15 PASS
Dipole [step 5] -3.955589211257066e-01 -3.955589211257070e-01 1.980000000000000e-14 4.440892098500626e-16 PASS
Dipole [step 10] -7.406769413990197e-01 -7.406769413990340e-01 3.700000000000000e-14 1.421085471520200e-14 PASS
Dipole [step 15] -1.039087772402134e+00 -1.039087772402140e+00 5.200000000000000e-14 5.995204332975845e-15 PASS
Dipole [step 20] -1.295835165527732e+00 -1.295835165527720e+00 6.480000000000000e-14 -1.154631945610163e-14 PASS
Compare to other inputs