Input 22-td_move_ions_periodic.01-gs.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > 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
Initial energy -2.965697183000000e+01 -2.965697182000000e+01 1.480000000000000e-07 -1.000000082740371e-08 PASS
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