Input 04-lithium.02-absorbing_boundaries.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_intel-2022a_serial_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] 2.926157588586445e+00 2.926157647067783e+00 1.820000000000000e-07 -5.848133799446487e-08 PASS
N_electrons [step 1112] 2.353009886182176e+00 2.353010052117660e+00 3.500000000000000e-07 -1.659354835759075e-07 PASS
norm11 [step 0] 1.000000000000000e+00 1.000000000000000e+00 1.300000000000000e-07 0.000000000000000e+00 PASS
norm11 [step 500] 9.848360369264213e-01 9.848360389306172e-01 1.300000000000000e-07 -2.004195920335405e-09 PASS
norm11 [step 1112] 8.637099962192236e-01 8.637099847839140e-01 3.000000000000000e-07 1.143530958813699e-08 PASS
norm21 [step 0] 1.000000000000001e+00 1.000000000000000e+00 3.000000000000000e-07 6.661338147750939e-16 PASS
norm21 [step 500] 9.923827667776419e-01 9.923827888392015e-01 3.000000000000000e-07 -2.206155957917844e-08 PASS
norm21 [step 1112] 9.199553184450916e-01 9.199554254748805e-01 3.000000000000000e-07 -1.070297889205207e-07 PASS
Compare to other inputs