Input 16-bomd.01-gs.inp

Commits > Commit a52301560213e3c8fdab44f55dc98126fab73840 > 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 -1.060379974000000e+01 -1.060379974000000e+01 5.300000000000000e-08 0.000000000000000e+00 PASS
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