OutputFormat

OutputFormat

Section Output
Type flag
Default 0

Describes the format of the output files. This variable can also be defined inside the Output block. See Output. Example: axis_x + plane_x + dx

Options:

• axis_x:
  The values of the function on the x axis are printed. The string .y=0,z=0 is appended to previous file names.
  
• axis_y:
  The values of the function on the y axis are printed. The string .x=0,z=0 is appended to previous file names.
  
• axis_z:
  The values of the function on the z axis are printed. The string .x=0,y=0 is appended to previous file names.
  
• plane_x:
  A plane slice at x = 0 is printed. The string .x=0 is appended to previous file names.
  
• plane_y:
  A plane slice at y = 0 is printed. The string .y=0 is appended to previous file names.
  
• plane_z:
  A plane slice at z = 0 is printed. The string .z=0 is appended to previous file names.
  
• dx:
  For printing three-dimensional information, the open-source program visualization tool OpenDX can be used. The string .dx is appended to previous file names. Available only in 3D.
  
• netcdf:
  Outputs in NetCDF format. This file can then be read, for example, by OpenDX. The string .ncdf is appended to previous file names. Requires the NetCDF library. Only writes the real part of complex functions.
  
• mesh_index:
  Generates output files of a given quantity (density, wavefunctions, ...) which include the internal numbering of mesh points. Since this mode produces large datafiles this is only useful for small meshes and debugging purposes. The output can also be used to display the mesh directly. A Gnuplot script for mesh visualization can be found under PREFIX/share/octopus/util/display_mesh_index.gp.
  
• xcrysden:
  A format for printing structures and three-dimensional information, which can be visualized by the free open-source program XCrySDen and others. The string .xsf is appended to previous file names. Note that lattice vectors and coordinates are as specified by UnitsOutput. Available in 2D and 3D.
  
• matlab:
  In combination with plane_x, plane_y and plane_z, this option produces output files which are suitable for 2D Matlab functions like mesh(), surf(), or waterfall(). To load these files into Matlab you can use, e.g. >> density = load('static/density-1.x=0.matlab.abs'); >> mesh(density);
  
• meshgrid:
  Outputs in Matlab mode the internal mesh in a format similar to >> [x,y] = meshgrid(-2:.2:2,-1:.15:1) The x meshgrid is contained in a file *.meshgrid.x and the y-grid can be found in *.meshgrid.y.
  
• boundary_points:
  This option includes the output of the mesh enlargement. Default is without. Supported only by binary, axis, plane, mesh_index, and matlab formats. Not all types of Output will have this information available. Not supported when parallel in domains.
  
• binary:
  Plain binary, new format.
  
• etsf:
  ETSF file format. Requires the ETSF_IO library. Applies only to Output = density, geometry, wfs, and/or wfs_fourier.
  
• xyz:
  Geometry will be output in XYZ format. Does not affect other outputs.
  
• cube:
  Generates output in the cube file format. Available only in 3D. Only writes the real part of complex functions. This output format always uses atomic units.
  
• bild:
  Generates output in BILD format.
  
• vtk:
  Generates output in VTK legacy format.
  
• integrate_xy:
  Integrates the function in the x-y plane and the result on the z axis is printed.
  
• integrate_xz:
  Integrates the function in the x-z plane and the result on the y axis is printed
  
• integrate_yz:
  Integrates the function in the y-z plane and the result on the x axis is printed
  
• ascii:
  Plain text format regardless of dimensionality. For the moment only employed by the oct-phototoelectron_spectrum post-processing utility.