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SYNOPSIS
       xcrysden [special-options]
       xcrysden [special-options] format-options file|directory


DESCRIPTION
       XCrySDen  is  a  crystalline and molecular structure visualisation pro-
       gram, which aims at display of isosurfaces and contours, which  can  be
       superimposed  on  crystalline  structures and interactively rotated and
       manipulated.


SPECIAL OPTIONS
       -h
       --help
           Display help message.


       -v
       --version
           Display program version information.

       -u id
       --use id
           Load XCrySDen embedded into container window with window-ID=id.

       -r dim
       --reducedim dim
           Reduce periodic dimension of XSF file to  dim.  Must  be  specified
           before --xsf option, e.g., xcrysden -r 2 --xsf file.


       -c file
       --custom file
           Load  custom-definitions  from a specified file (the syntax is that
           of ~/.xcrysden/custom-definitions).

       -a file
       --attributes file
           Load attributes from file. The format of the attributes file is the
           following:

                   ELEMENTCOLOR
                   atomic-number1   red1 blue1 green1
                   atomic-number2   red2 blue2 green2
                   ...
                   ELEMENTRADIUS
                   atomic-number1   radius1
                   atomic-number2   radius2
                   ...


       -l file
       --lights file
           Load lights parameters from XCrySDen's lights formatted file.


FORMAT OPTIONS
       --xsf file
           Load structure from XCrySDen's-Structure-File (XSF) formatted file.

       --animxsf file
       --axsf file
           Load  structres from Animated-XCrySDen's-Structure-File (AXSF) for-
           matted file.

       --bxsf file
           Load bands from BXSF (Band-XSF) file and visualize  Fermi  Surface.


       --xmol file
       --xyz file
           Load structure from XYZ formatted file.

       --pdb file
           Load structure from PDB formatted file.

       --gzmat file
           Load  structure  from  Gaussian  Z-matrix (requires Open-Babel pro-
           gram).

       --gaussian_out file
       --gxx_out file
       --g98_out file
           Load structure from Gaussian output file. Only single point  calcu-
           lation  and optimization run is supported so far. For the optimiza-
           tion run it is possible to render all the structures that were pro-
           duced during the run.

       --cube file
       --gXX_cube file
       --g98_cube file
           Load  structure  from  Gaussian  cube file. The cube file should be
           produced with the Cube=Cards option. Only  scalar  cube  files  are
           supported,  that  is, Cube=(Cards,Density) or Cube=(Cards,Orbitals)
           or Cube=(Cards,Potential). Refer to GAUSSIAN manual for the meaning
           of this keywords.


       --crystal_inp file
           Load  structure  from CRYSTAL (http://http://www.crystal.unito.it/)
           input file.


       --crystal_f9 file
           Load structure from  CRYSTAL  (http://http://www.crystal.unito.it/)
           fortran unit 9.


       --wien_struct filehead|file|directory
           Load  structure  from  WIEN2k  (http://www.wien2k.at/) struct-file,
           where:

               filehead = name of struct file without .struct extension,
               file = filename,
               directory = name of case directory.


       --wien_kpath directory|struct-file
           Read struct file and render first Brillouin zone  with  special  k-
           points.  K-path can be selected interactively by mouse-clicking the
           special k-points.  User must specify EMIN  and  EMAX  energies  and
           total  number  of k-points along the path. This number is merely an
           estimation of total number of k-points, since XCrySDen tries to get
           very  uniform  sampling  of  k-points along the path (don't specify
           WIEN2k maximum allowed number of k-points,  since  XCrySDen  maight
           generate few points more).


       --wien_renderdensity directory
           Read  struct,  output, and rho files and renders crystalline struc-
           ture and precomputed charge density.


       --wien_density direcory
           Either 2D or 3D region for charge density calculation  is  interac-
           tively  chosen  by  mouse-clicking. XCrySDen generates in5 file(s),
           calculates and renders charge  density  either  as  isolines/color-
           planes (2D) or isosurfaces (3D).


       --wien_fermisurface directory
           Pop-up  a  task  window  for Fermi surface creation.  After several
           steps the Fermi surface is (hopefully) drawn as 3D isosurface.


       --fhi_inpini file
           Load structure from FHI98MD inp.ini formated file.


       --fhi_coord file
           Load structure from FHI98MD coord.out formated file.


       --pwi
       --pw_inp file
           Load structure from pw.x input  file.  pw.x  is  a  pseudopotential
           planewave    program    of    the   Quantum-ESPRESSO   distribution
           (http://www.quantum-espresso.org/).

       --pwo
       --pw_out file
           Load structure from pw.x output file.  pw.x  is  a  pseudopotential
           planewave    program    of    the   Quantum-ESPRESSO   distribution
           (http://www.quantum-espresso.org/).


       -s script
       --script script
           Load script from file containing Tcl script.



