[Pw_forum] Some simple questions on phonon calculation results.

[Paolo Giannozzi]

On Monday 18 July 2005 05:17, 张 洪彬 wrote:

>   1. the units of the output file in .modes file, is it THz?

units for frequencies are explicitly specified; normal modes 
are normalized to 1, thus they are dimensionless

> As to the special k-lines for the dispersion curve plotting, 
> are they included in matdyn.x's input file with dos!=.true?

no, you have to supply the list of wavevectors for which you
want to plot them

> 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?

they shouldn't be there, thank you for bringing this to our attention

Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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