Input 08-sternheimer-photons.01-gs.inp

Commits > Commit fb3b67f6830f0e047754886f078a46875acffbf8 > Run cuda-serial: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total energy -2.191554640000000e+00 -2.191554890000000e+00 1.000000000000000e-04 2.499999998128999e-07 PASS
HOMO -4.593750000000000e-01 -4.593750000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
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