Input 04-vib_modes.03-vib_modes_restart.inp

Commits > Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 > Run spack_foss-2022a_serial

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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