Input 04-lithium.02-absorbing_boundaries.inp

Commits > Commit fb3b67f6830f0e047754886f078a46875acffbf8 > Run foss-mpi-opt-full: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
N_electrons [step 0] 2.999999999999998e+00 3.000000000000000e+00 2.000000000000000e-07 -1.776356839400250e-15 PASS
N_electrons [step 500] 2.319032487295788e+00 2.319032630881478e+00 3.060000000000000e-07 -1.435856900044996e-07 PASS
norm11 [step 0] 9.999999999999999e-01 1.000000000000000e+00 1.300000000000000e-07 -1.110223024625157e-16 PASS
norm11 [step 500] 8.562172160884465e-01 8.562172473301963e-01 7.470000000000000e-08 -3.124174985380535e-08 PASS
norm21 [step 0] 9.999999999999999e-01 1.000000000000000e+00 1.300000000000000e-07 -1.110223024625157e-16 PASS
norm21 [step 500] 9.153054606022502e-01 9.153054729587488e-01 2.520000000000000e-08 -1.235649860209520e-08 PASS
Compare to other inputs