Input 06-vib_modes_fd.01-ground_state.inp

Commits > Commit babc485c55a2119a415aa56305cb49f398154cb7 > Run spack_foss-2022a_mpi_debug

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total Energy -7.648123200000000e-01 -7.648124300000000e-01 3.820000000000000e-07 1.099999999976120e-07 PASS
Eigenvalues -1.413520000000000e-01 -1.413520000000000e-01 7.070000000000000e-06 0.000000000000000e+00 PASS
Dipole Moment 2.245260000000000e+00 2.245260000000000e+00 1.120000000000000e-04 0.000000000000000e+00 PASS
Compare to other inputs