Input 01-quadratic_box.01-ground_state.inp

Commits > Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue 9.999209999999999e-01 9.999209999999999e-01 5.000000000000000e-05 0.000000000000000e+00 PASS
Occupation 1.000000000000000e+00 1.000000000000000e+00 5.000000000000000e-05 0.000000000000000e+00 PASS
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