Input 15-crank_nicolson.01-gs.inp

Commits > Commit e5fcdd4b6e483a88fb99eafb58d1df80750fbe8c > 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 -1.060684395000000e+01 -1.060684395000000e+01 5.300000000000000e-08 0.000000000000000e+00 PASS
Compare to other inputs