Input 05-time_propagation.01-gs.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run spack_foss-2022a_mpi_min

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Initial energy -3.792395865000000e+01 -3.792395865000000e+01 1.900000000000000e-07 0.000000000000000e+00 PASS
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