NetCDF Options

NetCDF is a set of software libraries and self-describing, machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data. Siesta can use it for efficient I/O.

• CDF.Save: Enables the saving of grid-based data (like charge density) in the NetCDF format.
• CDF.Compress: Sets the compression level (0-9) for the output files to save disk space.
• CDF.MPI: Uses parallel I/O capabilities for faster file writing in large-scale MPI runs.