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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 be-
           fore --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 structures 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.

       --orca_out file
           Load structure(s) from Orca output file. Only Geometry optimization
           outputs were tested so far.

       --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 to-
           tal number of k-points along the path. This number is merely an es-
           timation  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 formatted file.

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

       --os script
       --oldscript script
           Load old-formatted script (prior to xcrysden-1.6) from file.

       --print filename
           Print  the  displayed  structure to a file and exit. This is useful
           within the shell scripts to achieve "automatic" printing.

           Example: xcrysden --xsf file.xsf  --script  state.xcrysden  --print
           file.png

           In this example "--xsf file.xsf" loads the structure from XSF file,
           "--script  state.xcrysden"  setups a desired display (such a script
           is typically created via File-->Save Current State menu option) and
           "--print file.png" prints the displayed structure to a file and ex-
           its xcrysden.

