yaml2band.rb

yaml2band.rb reads frophorun.yaml and print gnuplot style phonon band structure to standard output (STDOUT). From first to fifth columns, distance in reciprocal space from the first q-point, frequency and q-point vector in fractional coordinates are printed out. The residual columns are the fractional contributions of atoms in unit cell. Therefore the number of them are printed out. You require to write YAML = .TRUE. to your input file to have frophorun.yaml.
usage
	yaml2band.rb [option] [frophorun.yaml]
option
--factor
Unit conversion factor. VASP users may use 15.633 in THz or 521.47 in cm$ ^{-1}$.
default = 1.0
example
	yaml2band.rb --factor=15.633 frophorun.yaml


togo 2009-02-12
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