Input 03-vdw_sternheimer.01-ground_state.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2023a_mpi_min

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total energy -2.844804580000000e+00 -2.844783760000000e+00 1.000000000000000e-04 -2.082000000003248e-05 PASS
HOMO -5.722270000000000e-01 -5.722150000000000e-01 1.000000000000000e-04 -1.200000000001200e-05 PASS
Compare to other inputs