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INSTALL
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INSTALL
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WannierTools is written in Fortran90. Eventually, Fortran compiler is required to install it. At present,
we only support the installation on Mac or Linux or other Unix like systems.
1. Download the package
a. You can download the latest develop branch by using "git clone"
git clone https://github.com/quanshengwu/wannier_tools.git
b. You could also download the release version on page
https://github.com/quanshengwu/wannier_tools/releases
2. After the download, uncompress it if necessary. The source file is included in the src/ folder.
The executable binary will be copied to bin/ folder after compilation. There are several examples
in the examples/ folder. The symmetrization module is in the wannhr_symm/ folder which is an
independent python package.
3. Go into the folder src/ for the compilation. We prepared several Makefiles for different usage.
Please copy the one that you need into Makefile like
cp Makefile.intel-mpi Makefile
4. Modify Makefile
a. Choose the lapack and Blas library by setting LIBS.
b. if you want to use mpi, please add -DMPI as an option of compiler F90.
5. Make it by typing
make
6. After the compilation, binary wt.x will be generated and copied to ../bin/ folder.
7. About the usage, please visit website www.wanniertools.com