README

#-------------------------------------------------------------------------------
   phana
#
   This program reads the binary file created by fix_phonon and helps to
   analyse the phonon related information.
#-------------------------------------------------------------------------------
1. Dependencies
   The ZHEEVD LAPACK function is needed to solve the eigen problems.
   A C++ compilable version based on CLAPACK is included in the linalg folder
   and will be automatically built.

   The tricubic library is also needed to do tricubic interpolations.
   A copy is included and will be automatically built.

   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, version 1.11.2.1 of spglib is used.
   It is automatically downloaded and compiled unless the -DUSE_SPGLIB=off
   variable is set during CMake configuration.

   FFTW 3 might also be needed if you would like to interface with
   phonopy: necessary input files for phonopy will be prepared so
   that you can make use of the functions provided by phonopy.
   It is autodetected and used if available.

   FFTW 3 can be downloaded from: http://www.fftw.org

2. Compilation
   To compile the code, one needs to have CMake version 3.16
   or later installed.

   The CMake configuration is done with:
     cmake -S . -B build
   And compilation then performed with:
     cmake --build build
   The phana (or phana.exe) executable is then available in
   the "build" folder

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

4. Updates
   For updates of phana, please check:
   https://github.com/lingtikong/phana.git

5. Bug report
   If any bug found, please drop a line to: konglt(at)sjtu.edu.cn

6. Precompiled executable
   The "precompiled" folder contains a precompiled and statically
   linked Linux executable for x86_64 CPUs. It should work on *any*
   Linux machine with using the x86_64 architecture. It includes
   spglib support but not fftw3.

7. Portability
   Build and use of phana has been successfully tested on:
    - Fedora Linux 38 using GCC, Clang, and MinGW Linux2Windows cross-compiler
    - Ubuntu Linux 18.04LTS and 20.04LTS using GCC
    - Debian Linux 11 and 12 using GCC
    - macOS 12 (Monterey) using Xcode
    - Windows 11 using Visual Studio 2022 using MSVC and Clang
    - FreeBSD 13.1 using Clang

#-------------------------------------------------------------------------------
Author: Ling-Ti Kong, konglt(at)sjtu.edu.cn
Aug 2021