Input 04-vib_modes.02-vib_modes.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run spack_foss-2023a_mpi_debug

Matches

Name Value Reference Precision Difference Status
Vibrational Frequency 1.422976212950000e+03 1.422976212950000e+03 7.109999999999999e-08 0.000000000000000e+00 PASS
Infrared Intensity 3.046609000000000e-01 3.046609000000000e-01 1.520000000000000e-06 0.000000000000000e+00 PASS
Dynamical Matrix Entry -1.827731410280000e-02 -1.827731410300000e-02 9.140000000000000e-12 1.999997389923180e-13 PASS
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