Input 12-tddft-currents-to-maxwell.01-benzene-gs.inp

Commits > Commit 8f782d5cf55620fdc67b764848371cb8de44e683 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 4.000000000000000e-08 0.000000000000000e+00 PASS
Initial energy -3.744576068000000e+01 -3.744576068000000e+01 1.000000000000000e-04 0.000000000000000e+00 PASS
Compare to other inputs