Input 19-td_move_ions.01-gs.inp

Commits > Commit 1f10c93c74388b17aea6526c581521be8cd6aa14 > Run cmake_foss_2022a_min_serial

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Initial energy -2.964437839000000e+01 -2.964437839000000e+01 1.480000000000000e-09 -3.552713678800501e-15 PASS
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