Input 34-walltime.02-restart_gs.inp

Commits > Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 > Run foss-mpi-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 -3.792394781000000e+01 -3.792394773000000e+01 1.700000000000000e-06 -7.999999951380232e-08 PASS
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