Input 34-walltime.02-restart_gs.inp

Commits > Commit 34a88ed67d1e43cec43030663c55a516d3c2803d > Run foss-2022a_mpi_omp

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 -3.792394802000000e+01 -3.792394773000000e+01 1.700000000000000e-06 -2.899999955729982e-07 PASS
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