reducePhonon.rb

reducePhonon.rb infers irreducible symbols of phonon modes. syminfo.yaml and frophorun.yaml are loaded if they exist in current directory. -q option must be specified. In this analysis, environment variable FROPHOPATH must be set to notify reducePhonon.rb where character tables are. FROPHOPATH must be set the one upper directory of character_table directory, which is usually the source code directory.
usage
	reducePhonon.rb [OPTION]
option
-i, --irrep
Only print direct sum of irrep of crystal
default = false

-p, --primitive
Use primitive symmetry information in symminfo.yaml

--syminfo
Set arbitral symminfo.yaml file

-f, --frophorun
Set arbitral frophorun.yaml file

-q, --qpoint
Set q-point number where the eigenvectors are expeced

-s, --symprec
Symmetry check torrelance
default = 1e-2

-l, --log
See precise log
default = false

--factor
factor for eigenvalue
default = 1

--stderr
Output is done to standard error (stderr), too.
default = false

example
	reducePhonon.rb -p -q 2 --factor=521.471

togo 2009-02-12
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