Input 34-walltime.02-restart_gs.inp

Commits > Commit 6099f031302cffa2938f492784ba2f7b55faffa3 > Run foss_cmake: [foss2023a-mpi, foss-full-mpi]

Matches

Name Value Reference Precision Difference Status
Reading States 1.000000000000000e+00 1.000000000000000e+00 7.000000000000000e-06 0.000000000000000e+00 PASS
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 7.000000000000000e-06 0.000000000000000e+00 PASS
Initial energy -3.792394745000000e+01 -3.792394773000000e+01 1.700000000000000e-06 2.800000018510218e-07 PASS
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