phononMode2xsf reads frophorun.yaml and outputs animation file formated by Biosym (for GDIS) or Xcrysden. Currently only $ \Gamma$-point mode is supported. Biosym format is default.
	mode2anime.rb [OPTION] [frophorun.yaml]

Amplitude of atomic vibration
default = 1.0

Output in Biosym format

Band number

Number of division per 2$ \pi$ in phase
default = 25

List eigenvectors at a q-point (not output animation data). Required to specify the q-point.

List q-points in frophorun.yaml (not output animation data)

q-point number

Number of repetition of vibration cycle
default = 1

Atomic positions are shifted in Cartesian.

Write snapshot of vibration in POSCAR style

Theta in degree used in writing snapshot of vibration

Output in Xcrysden format

	mode2anime.rb --band=1 --qnum=2 --shift="0.5 0.5 0.5"
	mode2anime.rb --xsf --repeat=50 --division=10 \
	--band=1 --qnum=2 frophorun.yaml|xcrysden --xsf -
	mode2anime.rb --snapshot -band=1 --qnum=2 --theta=90 frophorun.yaml
togo 2009-02-12
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