Input 10-bomd.01-gs.inp

Commits > Commit e20977157e4d251b72bb22e6c23e92a645445263 > Run foss-2022a_opt

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