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.
default = 1.0
example
yaml2band.rb --factor=15.633 frophorun.yaml
togo
2009-02-12