Input 03-td_self_consistent.01-gs.inp

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-06 0.000000000000000e+00 PASS
Initial energy -1.060684242000000e+01 -1.060684242000000e+01 5.300000000000000e-08 0.000000000000000e+00 PASS
Compare to other inputs