Input 06-caetrs.01-gs.inp

Commits > Commit 235dfa244e23366de619648bda83df5634b8df23 > Run foss_mpi_debug_autotools: [foss2023a-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 -1.058482984000000e+01 -1.058482984000000e+01 5.290000000000000e-08 0.000000000000000e+00 PASS
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