Input 16-bomd.01-gs.inp

Commits > Commit 9c86d3f9e0672ab6f34186f0e6ca5b729d8f047e > Run intel-2022b_impi

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Initial energy -1.060377305000000e+01 -1.060377304000000e+01 5.300000000000000e-08 -9.999999051046871e-09 PASS
Compare to other inputs