Input 03-td_self_consistent.01-gs.inp

Commits > Commit 6099f031302cffa2938f492784ba2f7b55faffa3 > Run foss_cmake_mpi_min: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-06 0.000000000000000e+00 PASS
Initial energy -1.060686610000000e+01 -1.060686610000000e+01 5.300000000000000e-07 0.000000000000000e+00 PASS
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