Input 14-absorption-spinors.01-gs.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Initial energy -6.136214930000000e+00 -6.136214930000000e+00 3.070000000000000e-07 0.000000000000000e+00 PASS
Compare to other inputs