Input 34-walltime.02-restart_gs.inp

Commits > Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d > Run foss-opt-full: [foss2023a-serial]

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 -3.792394789000000e+01 -3.792394773000000e+01 1.700000000000000e-06 -1.599999990276046e-07 PASS
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