Input 05-time_propagation.01-gs.inp

Commits > Commit a4341ac9f169107ec4cef5019cc6269df7c401ac > Run spack_foss-2022a_mpi_min

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Initial energy -3.792395865000000e+01 -3.792395865000000e+01 1.900000000000000e-07 0.000000000000000e+00 PASS
Compare to other inputs