Including libraries

OpenMX uses two or three library packages. The following two libraries are indispensable.

• LAPACK (and BLAS) (http://www.netlib.org/)
• FFTW (http://www.fftw.org/)

If you try to perform the MPI execution, in addition to above two libraries, you need to install a MPI package such as

• MPICH (http://www-unix.mcs.anl.gov/mpi)
• LAM (http://www.lam-mpi.org/)

If these library packages are not installed on your machine, before the installation of OpenMX, you are required to install them. If these libraries packages are available on your machine, you can proceed the following procedure for the installation. Then, after downloading openmx3.5.tar.gz, decompress it as follows:

     % tar zxvf openmx3.5.tar.gz
   

When it is completed, you can find four directories (source, work, DFT_DATA, DFT_DATA06) under the directory, openmx3.5. The directories, 'source', 'work', 'DFT_DATA' and 'DFT_DATA06', contain source files, input files, and data files for the pseudo-atomic basis functions and the pseudopotentials of Ver. 2004 and 2006, respectively.