Input 21-scissor.01-gs.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Initial energy -4.174917300000000e-01 -4.174745000000000e-01 1.000000000000000e-04 -1.722999999997921e-05 PASS
Compare to other inputs