Input 13-full_potential_hydrogen.02-gs-cg.inp

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Run foss_cmake: [foss2022a-serial, foss-full]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-15 0.000000000000000e+00 PASS
Total energy -4.950073700000000e-01 -4.950073700000000e-01 2.480000000000000e-07 0.000000000000000e+00 PASS
Species displacement 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-15 0.000000000000000e+00 PASS
Eigenvalue -4.950070000000000e-01 -4.950070000000000e-01 2.480000000000000e-05 0.000000000000000e+00 PASS
Occupation 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-15 0.000000000000000e+00 PASS
Compare to other inputs