Input 34-walltime.02-restart_gs.inp

Commits > Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 > Run spack_foss-2023a_serial_opt

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 -3.792394837000000e+01 -3.792394773000000e+01 1.700000000000000e-06 -6.399999961104186e-07 PASS
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