[Pw_forum] Plotting phonon dispersion

Lorenzo Paulatto paulatz at gmail.com
Mon Feb 19 15:59:46 CET 2018



On 02/19/2018 03:14 PM, Saif Ullah wrote:
> Dear Eleni,
> 
> Did you use ibrav=0? If so, then you need to use q_in_band_form=.false.
> q_in_cryst_coord=.true.
> 
Neither of these two bits of advice is correct:

1. q_in_band_form can be used with ibrav=0 as usual, and works just as 
well as long as you specify the point coordinates
2. there is no specific reason to use crystal coordinates with ibrav=0, 
you can, as usual, but by no mean you "need to"


kind regards


-- 
Lorenzo Paulatto - Paris



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