Input 04-vib_modes.03-vib_modes_restart.inp

Commits > Commit a52301560213e3c8fdab44f55dc98126fab73840 > Run spack_foss-2023a_mpi_debug

Matches

Name Value Reference Precision Difference Status
Vibrational Frequency 1.422976794490000e+03 1.422976794490000e+03 7.109999999999999e-08 0.000000000000000e+00 PASS
Infrared Intensity 3.046603000000000e-01 3.046609000000000e-01 1.520000000000000e-06 -6.000000000172534e-07 PASS
Dynamical Matrix Entry -1.827804281210000e-02 -1.827804281205000e-02 5.500000000000000e-14 -4.999820002460353e-14 PASS
Compare to other inputs