Input 04-lithium.02-absorbing_boundaries.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run eb_foss-2022b_libxc6

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] 2.926157664282993e+00 2.926157647067783e+00 1.820000000000000e-07 1.721521014630412e-08 PASS
N_electrons [step 1112] 2.353010116603983e+00 2.353010052117660e+00 3.060000000000000e-07 6.448632339228766e-08 PASS
norm11 [step 0] 9.999999999999999e-01 1.000000000000000e+00 1.300000000000000e-07 -1.110223024625157e-16 PASS
norm11 [step 500] 9.848360464040014e-01 9.848360389306172e-01 1.300000000000000e-07 7.473384133760419e-09 PASS
norm11 [step 1112] 8.637099939275746e-01 8.637099847839140e-01 1.300000000000000e-07 9.143660606447668e-09 PASS
norm21 [step 0] 1.000000000000000e+00 1.000000000000000e+00 1.300000000000000e-07 4.440892098500626e-16 PASS
norm21 [step 500] 9.923827918044222e-01 9.923827888392015e-01 1.300000000000000e-07 2.965220735617891e-09 PASS
norm21 [step 1112] 9.199554249431754e-01 9.199554254748805e-01 3.000000000000000e-07 -5.317051243736159e-10 PASS
Compare to other inputs