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lines changed Original file line number Diff line number Diff line change 1313 from phonopy .units import VaspToCm # noqa
1414except ImportError :
1515 from phonopy .physical_units import get_physical_units
16+ physical_units = get_physical_units ()
17+ VaspToCm = physical_units .DefaultToTHz * physical_units .THzToCm
1618
1719from phonopy_vibspec .spectra import RamanSpectrum , InfraredSpectrum
1820from phonopy_vibspec .vesta import VestaVector , make_vesta_file
2426
2527HUGE_MASS = 10000 # AMU
2628
27- physical_units = get_physical_units ()
28-
2929l_logger = logger .getChild (__name__ )
3030
3131
@@ -70,7 +70,7 @@ def __init__(
7070 self .N = self .structure .get_number_of_atoms ()
7171 l_logger .info ('Analyze {} modes (including acoustic)' .format (3 * self .N ))
7272 self .frequencies = numpy .sqrt (numpy .abs (eigv .real )) * numpy .sign (eigv .real )
73- self .frequencies *= physical_units . DefaultToTHz * physical_units . THzToCm # in [cm⁻¹]
73+ self .frequencies *= VaspToCm # in [cm⁻¹]
7474
7575 if self .frequencies [0 ] < - 30 :
7676 l_logger .warn ('The first frequency is very small: {:.3f} cm⁻¹' .format (self .frequencies [0 ]))
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