[Pw_forum] PlotPhonon for FCC structure

Uri Argaman argamanu at post.bgu.ac.il
Tue May 5 18:34:13 CEST 2015


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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