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

Commits > Commit ff858744384f796bd1ad65ff45f26dd2d219c42c > Run foss-mpi-min: [foss2022a-mpi]

Matches

Name Value Reference Precision Difference Status
Casida spectrum x 1.265022000000000e+01 1.265014000000000e+01 1.000000000000000e-04 7.999999999874774e-05 PASS
Casida spectrum y 4.191718000000000e-01 4.191558000000000e-01 1.000000000000000e-04 1.599999999996049e-05 PASS
Casida spectrum z 4.048058000000000e-01 4.047906000000000e-01 1.000000000000000e-04 1.519999999999300e-05 PASS
Casida spectrum tot 4.491399000000000e+00 4.491362000000000e+00 1.000000000000000e-04 3.700000000073089e-05 PASS
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