Input 17-absorption-spin_symmetry.01-gs.inp

Commits > Commit babc485c55a2119a415aa56305cb49f398154cb7 > Run spack_foss-2022a_mpi_opt

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Initial energy -1.135646826000000e+01 -1.135646828000000e+01 5.680000000000000e-08 1.999999987845058e-08 PASS
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