Input 34-walltime.02-restart_gs.inp

Commits > Commit 7674d3f014e9528d45a88358f14173f28daae041 > Run foss-mpi-min: [foss2022a-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 -3.792394758000000e+01 -3.792394773000000e+01 1.700000000000000e-06 1.500000053056283e-07 PASS
Compare to other inputs