Input 04-lithium.02-absorbing_boundaries.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
N_electrons [step 0] 3.000000000000001e+00 3.000000000000000e+00 2.000000000000000e-07 1.332267629550188e-15 PASS
N_electrons [step 500] 2.926157588586449e+00 2.926157647067783e+00 1.820000000000000e-07 -5.848133399766198e-08 PASS
N_electrons [step 1112] 2.353009886182179e+00 2.353010052117660e+00 3.500000000000000e-07 -1.659354804672830e-07 PASS
norm11 [step 0] 1.000000000000000e+00 1.000000000000000e+00 1.300000000000000e-07 0.000000000000000e+00 PASS
norm11 [step 500] 9.848360369264211e-01 9.848360389306172e-01 1.300000000000000e-07 -2.004196142380010e-09 PASS
norm11 [step 1112] 8.637099962192242e-01 8.637099847839140e-01 3.000000000000000e-07 1.143531014324850e-08 PASS
norm21 [step 0] 1.000000000000001e+00 1.000000000000000e+00 3.000000000000000e-07 6.661338147750939e-16 PASS
norm21 [step 500] 9.923827667776424e-01 9.923827888392015e-01 3.000000000000000e-07 -2.206155913508923e-08 PASS
norm21 [step 1112] 9.199553184450916e-01 9.199554254748805e-01 3.000000000000000e-07 -1.070297889205207e-07 PASS
Compare to other inputs