[Pw_forum] Some simple questions on phonon calculation results.

[张 洪彬]

Dear all:
  Here are some questions I have about the phonon calculation and how to 
process its results.plz help me.
  1. the units of the output file in .modes file, is it THz? and if I want 
to get the energy, is it right to multiply omegas by h-bar? and why I got 
modes with     
       omega( 1) =       0.000000 [THz] =      -0.000010 [cm-1]
                                              ~~~~~is this negative walue 
meaningful?
  2. From which output file can I get the dispersion curves plotted? using 
plotband.x?
As to the special k-lines for the dispersion curve plotting, are they 
included in matdyn.x's input file with dos!=.true? and in example06, I 
wonder, why there are K-points input in matdyn.x's input file while 
dos=.true, since in the matdyn.f90 files it is said that there's no need 
for k-points when dos=.true?
  3. what is the .modes and .freq file used for in further analysis?
It's seems to be silly to ask these questions, but please help me.
Best regards

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