Input 18-hhg.01-gs.inp

Commits > Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 > Run spack_foss-2022a_cuda_mpi_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 -6.697774399999999e-01 -6.697771600000000e-01 1.000000000000000e-04 -2.799999999636427e-07 PASS
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