Input 07-casida-photons.01-gs.inp

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > 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 -1.283000240000000e+00 -1.283000280000000e+00 1.000000000000000e-04 3.999999997894577e-08 PASS
HOMO -2.436470000000000e-01 -2.436470000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
LUMO 1.899930000000000e-01 1.899930000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
State 27 3.555030000000000e-01 3.555030000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
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