Input 01-cosh_2e_1d.01-gs.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
SCF converged 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue 1 -6.356610000000000e-01 -6.356610000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue 2 -3.965700000000000e-01 -3.965700000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue 3 -3.815590000000000e-01 -3.815590000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
Density matrix 1 8.229000000000000e-01 8.229000000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
Density matrix 2 4.742000000000000e-01 4.742000000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
Density matrix 3 4.888000000000000e-01 4.888000000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
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