			#-------------------------------------------------------------------------------
			phana
			#
			This program reads the binary file created by fix_phonon and helps to
			analyse the phonon related information.
			#-------------------------------------------------------------------------------
			1. Dependencies
			The LAPACK library is needed to solve the eigen problems.
			http://www.netlib.org/lapack/
			Intel MKL can be used as well.

			The spglib is optionally needed, enabling one to evaluate the
			phonon density of states or vibrational thermal properties
			using only the irreducible q-points in the first Brillouin zone,
			as well as to evaluate the phonon dispersion curvers with the
			automatic mode. Currently, the 1.8.3 version of spglib is used.
			It can be obtained from:
			http://spglib.sourceforge.net/

			2. Compilation
			To compile the code, one needs therefore to install the above
			libraries and set the paths correctly in the Makefile.
			Once this is done, by typing
			make
			will yield the executable "phana".

			3. Unit system
			The units of the output frequencies by this code is THz for
			LAMMPS units "real", "si", "metal", and "cgs"; in these cases,
			the frequencies are $\nu$ instead of $\omega$.

			4. Updates
			For updates of phana, please check:
			http://nes.sjtu.edu.cn/english/research/software.htm
			or
			https://github.com/lingtikong/phana.git

			5. Bug report
			If any bug found, please drop a line to: konglt(at)sjtu.edu.cn
			#-------------------------------------------------------------------------------
			Author: Ling-Ti Kong, konglt(at)sjtu.edu.cn
			Oct 2015

lammps/tools/phonon/README
4c71beb02409lammm-devel

README
View Options