Input 04-lithium.02-absorbing_boundaries.inp

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
N_electrons [step 0] 3.000000000000000e+00 3.000000000000000e+00 2.000000000000000e-07 0.000000000000000e+00 PASS
N_electrons [step 500] 2.926157668947448e+00 2.926157647067783e+00 1.820000000000000e-07 2.187966519073825e-08 PASS
N_electrons [step 1112] 2.353009932449978e+00 2.353010052117660e+00 3.500000000000000e-07 -1.196676819859022e-07 PASS
norm11 [step 0] 9.999999999999999e-01 1.000000000000000e+00 1.300000000000000e-07 -1.110223024625157e-16 PASS
norm11 [step 500] 9.848360694939001e-01 9.848360389306172e-01 1.300000000000000e-07 3.056328290451660e-08 PASS
norm11 [step 1112] 8.637099760897075e-01 8.637099847839140e-01 3.000000000000000e-07 -8.694206576898011e-09 PASS
norm21 [step 0] 1.000000000000000e+00 1.000000000000000e+00 3.000000000000000e-07 2.220446049250313e-16 PASS
norm21 [step 500] 9.923827603110564e-01 9.923827888392015e-01 3.000000000000000e-07 -2.852814506848489e-08 PASS
norm21 [step 1112] 9.199552860097944e-01 9.199554254748805e-01 3.000000000000000e-07 -1.394650861463731e-07 PASS
Compare to other inputs