zhang-b / phana Goto Github PK

phana

This program reads the binary file created by fix_phonon
and helps to analyse the phonon related info.

The clapack library is needed to solve the eigen problems,
which could be downloaded from:
http://www.netlib.org/clapack/

The tricubic library is also needed to to tricubic interpolations,
which could be obtained from:
   https://github.com/nbigaouette/libtricubic
or
   http://1drv.ms/1J2WFYk

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.

To compile the code, one needs therefore to install the above
libraries and set the paths correctly in the Makefile.

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 $\omega$.

For updates, please check:
  http://nes.sjtu.edu.cn/english/research/software.htm

Author: Ling-Ti Kong, konglt(at)sjtu.edu.cn
Sep 2018