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

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > 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