Input 04-lithium.02-absorbing_boundaries.inp

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Run eb_foss-2022b_libxc6_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] 2.926157664282992e+00 2.926157647067783e+00 1.820000000000000e-07 1.721520881403649e-08 PASS
N_electrons [step 1112] 2.353010116603985e+00 2.353010052117660e+00 3.500000000000000e-07 6.448632561273371e-08 PASS
norm11 [step 0] 9.999999999999999e-01 1.000000000000000e+00 1.300000000000000e-07 -1.110223024625157e-16 PASS
norm11 [step 500] 9.848360464040009e-01 9.848360389306172e-01 1.300000000000000e-07 7.473383689671209e-09 PASS
norm11 [step 1112] 8.637099939275755e-01 8.637099847839140e-01 3.000000000000000e-07 9.143661494626087e-09 PASS
norm21 [step 0] 1.000000000000000e+00 1.000000000000000e+00 3.000000000000000e-07 4.440892098500626e-16 PASS
norm21 [step 500] 9.923827918044225e-01 9.923827888392015e-01 3.000000000000000e-07 2.965220957662495e-09 PASS
norm21 [step 1112] 9.199554249431755e-01 9.199554254748805e-01 3.000000000000000e-07 -5.317050133513135e-10 PASS
Compare to other inputs