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

Commits > Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 > Run intel_mpi_autotools: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Casida spectrum x 1.265010000000000e+01 1.265014000000000e+01 1.000000000000000e-04 -4.000000000026205e-05 PASS
Casida spectrum y 4.191463000000000e-01 4.191558000000000e-01 1.000000000000000e-04 -9.499999999995623e-06 PASS
Casida spectrum z 4.047816000000000e-01 4.047906000000000e-01 1.000000000000000e-04 -8.999999999981245e-06 PASS
Casida spectrum tot 4.491343000000000e+00 4.491362000000000e+00 1.000000000000000e-04 -1.899999999999125e-05 PASS
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