Input 34-walltime.02-restart_gs.inp

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > Run spack_intel-2022a_serial_omp

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 -3.792394774000000e+01 -3.792394773000000e+01 1.700000000000000e-06 -1.000000082740371e-08 PASS
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