Input 06-restart.04-restart_gs_mixvhxc.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 3.650000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue [up] -1.385800000000000e-02 -1.386100000000000e-02 3.300000000000000e-05 2.999999999999531e-06 PASS
Eigenvalue [dn] -8.519699999999999e-02 -8.522600000000001e-02 4.260000000000000e-05 2.900000000001512e-05 PASS
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