Input 17-absorption-spin_symmetry.01-gs.inp

Commits > Commit 7368b0b20aad13e0ecfc3e36ba5b1a9f5c3d54b1 > 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 -1.135646826000000e+01 -1.135646828000000e+01 5.680000000000000e-08 1.999999987845058e-08 PASS
Compare to other inputs