Input 34-walltime.02-restart_gs.inp

Commits > Commit d89ed1adec8f63937926022ba961c15ddb98b66b > Run cuda-serial: [foss2022a-cuda-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 -3.792394751000000e+01 -3.792394773000000e+01 1.700000000000000e-06 2.200000039920269e-07 PASS
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