yaml2dos.rb reads frophorun.yaml and print gnuplot style phonon DOS to standard output (STDOUT). The library ``cBroaden.so'' has to be made before using yaml2dos.rb. The DOS look depends on the sigma value and the unit system of frequency. The intensity is normalized to per unit cell. You require to write YAML = .TRUE. to your input file to have frophorun.yaml.
	yaml2dos.rb [options] [frophorun.yaml]
Activate total DOS. This is default.
Activate partial DOS.
Activate partial DOS projected onto Cartesian.
Unit conversion factor. VASP users may use 15.633 in THz or 521.47 in cm$ ^{-1}$.
default = 1.0
$ \sigma$ of Gaussian function for broadening.
default = 0.01
$ \Delta$frequency which is calculated on.
default = 0.01
Maximum frequency to be caluclated.
default = maximum frquency in frophorun.yaml $ + 3\sigma$
Minimum frequency to be caluclated.
default = minimum frquency in frophorun.yaml $ - 3\sigma$
	yaml2dos.rb --total --sigma=0.01 --delta=0.01 frophorun.yaml

togo 2009-02-12
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