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

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run spack_foss-2023a_serial_opt

Matches

Name Value Reference Precision Difference Status
Casida spectrum x 1.265016000000000e+01 1.265014000000000e+01 1.000000000000000e-04 1.999999999924285e-05 PASS
Casida spectrum y 4.191596000000000e-01 4.191558000000000e-01 1.000000000000000e-04 3.799999999998249e-06 PASS
Casida spectrum z 4.047945000000000e-01 4.047906000000000e-01 1.000000000000000e-04 3.900000000001125e-06 PASS
Casida spectrum tot 4.491370000000000e+00 4.491362000000000e+00 1.000000000000000e-04 8.000000000230045e-06 PASS
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