Input 34-walltime.02-restart_gs.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run cmake_foss_2022a_full_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 -3.792394795000000e+01 -3.792394773000000e+01 1.700000000000000e-06 -2.199999968865995e-07 PASS
Compare to other inputs