Input 34-walltime.02-restart_gs.inp

Commits > Commit f22bb0bcca4b53614d336c5e83de089ff68b1baa > 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 -3.792394776000000e+01 -3.792394773000000e+01 1.700000000000000e-06 -2.999999537678377e-08 PASS
Compare to other inputs