Input 04-lithium.02-absorbing_boundaries.inp

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > 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] 2.926157668947451e+00 2.926157647067783e+00 1.820000000000000e-07 2.187966741118430e-08 PASS
N_electrons [step 1112] 2.353009932449979e+00 2.353010052117660e+00 3.500000000000000e-07 -1.196676810977237e-07 PASS
norm11 [step 0] 9.999999999999999e-01 1.000000000000000e+00 1.300000000000000e-07 -1.110223024625157e-16 PASS
norm11 [step 500] 9.848360694939020e-01 9.848360389306172e-01 1.300000000000000e-07 3.056328479189574e-08 PASS
norm11 [step 1112] 8.637099760897087e-01 8.637099847839140e-01 3.000000000000000e-07 -8.694205355652684e-09 PASS
norm21 [step 0] 1.000000000000000e+00 1.000000000000000e+00 3.000000000000000e-07 2.220446049250313e-16 PASS
norm21 [step 500] 9.923827603110559e-01 9.923827888392015e-01 3.000000000000000e-07 -2.852814562359640e-08 PASS
norm21 [step 1112] 9.199552860097941e-01 9.199554254748805e-01 3.000000000000000e-07 -1.394650863684177e-07 PASS
Compare to other inputs