Input 06-restart.05-restart_gs.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_mpi_opt_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 4.260000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue [up] -1.400900000000000e-02 -1.401600000000000e-02 7.700000000000001e-06 7.000000000000062e-06 PASS
Eigenvalue [dn] -8.529200000000001e-02 -8.529200000000001e-02 4.260000000000000e-05 0.000000000000000e+00 PASS
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