Input 04-lithium.02-absorbing_boundaries.inp
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run GCI_intel_mpi_autotools: [intel2023a-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
N_electrons [step 0] | 2.999999999999995e+00 | 3.000000000000000e+00 | 2.000000000000000e-07 | -5.329070518200751e-15 | PASS |
N_electrons [step 500] | 2.926157469014539e+00 | 2.926157647067783e+00 | 1.820000000000000e-07 | -1.780532441486571e-07 | PASS |
N_electrons [step 1112] | 2.353009817044176e+00 | 2.353010052117660e+00 | 3.500000000000000e-07 | -2.350734833456158e-07 | PASS |
norm11 [step 0] | 9.999999999999993e-01 | 1.000000000000000e+00 | 1.300000000000000e-07 | -6.661338147750939e-16 | PASS |
norm11 [step 500] | 9.848360310432971e-01 | 9.848360389306172e-01 | 1.300000000000000e-07 | -7.887320130350872e-09 | PASS |
norm11 [step 1112] | 8.637099807419402e-01 | 8.637099847839140e-01 | 3.000000000000000e-07 | -4.041973866719673e-09 | PASS |
norm21 [step 0] | 9.999999999999981e-01 | 1.000000000000000e+00 | 3.000000000000000e-07 | -1.887379141862766e-15 | PASS |
norm21 [step 500] | 9.923827325335559e-01 | 9.923827888392015e-01 | 3.000000000000000e-07 | -5.630564559044871e-08 | PASS |
norm21 [step 1112] | 9.199552720508217e-01 | 9.199554254748805e-01 | 3.000000000000000e-07 | -1.534240587908187e-07 | PASS |