Input 04-lithium.02-absorbing_boundaries.inp

Commits > Commit 57f8ca8d342504024fed98c8f4356f69f5870627 > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name	Value	Reference	Precision	Difference	Status
N_electrons [step 0]	3.000000000000001e+00	3.000000000000000e+00	2.000000000000000e-07	8.881784197001252e-16	PASS
N_electrons [step 500]	2.319032352799076e+00	2.319032630881478e+00	3.060000000000000e-07	-2.780824019943395e-07	PASS
norm11 [step 0]	9.999999999999999e-01	1.000000000000000e+00	1.300000000000000e-07	-1.110223024625157e-16	PASS
norm11 [step 500]	8.562171986985783e-01	8.562172473301963e-01	7.470000000000000e-08	-4.863161806589744e-08	PASS
norm21 [step 0]	1.000000000000000e+00	1.000000000000000e+00	1.300000000000000e-07	2.220446049250313e-16	PASS
norm21 [step 500]	9.153054500649183e-01	9.153054729587488e-01	2.520000000000000e-08	-2.289383049802751e-08	PASS

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