Input 34-walltime.02-restart_gs.inp

Commits > Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd > Run cmake_foss_2022a_min_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 -3.792394779000000e+01 -3.792394773000000e+01 1.700000000000000e-06 -5.999999785899490e-08 PASS
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