Input 07-casida-photons.06-spectrum.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
Casida spectrum x 1.265014000000000e+01 1.265014000000000e+01 1.000000000000000e-04 0.000000000000000e+00 PASS
Casida spectrum y 4.191557000000000e-01 4.191558000000000e-01 1.000000000000000e-04 -1.000000000028756e-07 PASS
Casida spectrum z 4.047905000000000e-01 4.047906000000000e-01 1.000000000000000e-04 -1.000000000028756e-07 PASS
Casida spectrum tot 4.491363000000000e+00 4.491362000000000e+00 1.000000000000000e-04 1.000000000139778e-06 PASS
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