Input 18-hhg.01-gs.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run spack_intel-2022a_impi_omp

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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