Input 18-hhg.01-gs.inp

Commits > Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 > Run intel_mpi_omp_autotools: [intel2022a-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Initial energy -6.697774600000000e-01 -6.697771600000000e-01 1.000000000000000e-04 -3.000000000641379e-07 PASS
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