Input 34-walltime.02-restart_gs.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_omp_autotools: [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 -3.792394804000000e+01 -3.792394773000000e+01 1.700000000000000e-06 -3.099999972278056e-07 PASS
Compare to other inputs