[Pw_forum] PlotPhonon for FCC structure
Paolo Giannozzi
p.giannozzi at gmail.com
Wed May 6 13:24:22 CEST 2015
(1 1 1) in 2pi/a units is a reciprocal lattice vectors of the fcc lattice
On Tue, May 5, 2015 at 6:34 PM, Uri Argaman <argamanu at post.bgu.ac.il> wrote:
> Dear QE developers
> This is the file Cubic_FCC in the Include directory in PlotPhon:
> Face Centered Cubic
> 1.000000 0.000000 0.000000
> 0.000000 1.000000 0.000000
> 0.000000 0.000000 1.000000
> # Cartesian
> 1 0.000 0.000 0.000 G
> 50 1.000 0.000 0.000 X
> 50 1.000 1.000 1.000 G
> 50 0.500 0.500 0.500 L
> 50 1.000 0.000 0.000 X
> 50 1.000 0.500 0.000 W
> 50 0.500 0.500 0.500 L
>
> There is two different point called G (gamma). How it is possible that 1.000
> 1.000 1.000 is the gamma point?
>
> Uri Argaman
> Ben-Gurion University
> Israel
>
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