[Pw_forum] regarding phonon dispersion

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Tue Jul 10 08:39:04 CEST 2012


On Tue, Jul 10, 2012 at 5:53 AM, Kondaiah Samudrala <konda.physics at gmail.com
> wrote:

> Dear all,
>
> I am running phonon dispersion for YSn3, which is crystallizes in cubic
> structure. While running the programme i dont have any imaginary
> frequencies in my o/p file (ph.out). But using plotband.x tool  for
> plotting dispersion,  my final plot got negative axis exactly starting from
> the value of Fermi energy. Below i am sending the plotband.x details
>
>
Dear Kondaiah,
plotband.x was written to plot electronic bands, hence it sets the energy
zero at the "Fermu energy" level specified in input. When using it to plot
phonon bands, just set Efermi to zero.

bests
-- 
Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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