Input 34-walltime.02-restart_gs.inp

Commits > Commit a207e10cd726e9ee7bae9ea565d18a80e5fdcb20 > Run foss-mpi-omp-full: [foss2023a-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 -3.792394801000000e+01 -3.792394773000000e+01 1.700000000000000e-06 -2.799999947455944e-07 PASS
Compare to other inputs