Input 03-vdw_sternheimer.01-ground_state.inp

Commits > Commit 9bb80dbc43fc7b1ccbcadf899a686fb8cb0164a9 > Run foss-2022a_mpi_omp

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total energy -2.844773730000000e+00 -2.844783760000000e+00 1.000000000000000e-04 1.002999999988319e-05 PASS
HOMO -5.722020000000000e-01 -5.722150000000000e-01 1.000000000000000e-04 1.300000000004076e-05 PASS
Compare to other inputs