Input 03-vdw_sternheimer.01-ground_state.inp

Commits > Commit 38482cef62d365e560a63bc8ea1cbd919ea4f861 > Run foss-serial-min: [foss2023b-serial]

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