Input 34-walltime.02-restart_gs.inp

Commits > Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca > Run foss-parallel-zen4: [foss2023a-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 -3.792394764000000e+01 -3.792394773000000e+01 1.700000000000000e-06 9.000000034120603e-08 PASS
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