Input 16-bomd.01-gs.inp

Commits > Commit d89ed1adec8f63937926022ba961c15ddb98b66b > Run foss-cmake-zen4: [foss2023a-mpi, foss-full-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 -1.060379974000000e+01 -1.060379974000000e+01 5.300000000000000e-08 0.000000000000000e+00 PASS
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