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

Commits > Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a > Run foss-mpi-debug: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Casida spectrum x 1.265021000000000e+01 1.265014000000000e+01 1.000000000000000e-04 6.999999999912632e-05 PASS
Casida spectrum y 4.191689000000000e-01 4.191558000000000e-01 1.000000000000000e-04 1.309999999998812e-05 PASS
Casida spectrum z 4.048034000000000e-01 4.047906000000000e-01 1.000000000000000e-04 1.279999999997949e-05 PASS
Casida spectrum tot 4.491393000000000e+00 4.491362000000000e+00 1.000000000000000e-04 3.100000000078040e-05 PASS
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