Xcrysden-2

XCrySDen -- (X-Window) CRYstalline Structures and DENsities

   Introduction to use.

XCrySDen is a crystalline and molecular structure visualisation program aiming at display of isosurfaces and contours, which can be superimposed on crystalline structures and interactively rotated and manipulated. It runs on GNU/Linux.
XCrySDen has been also ported to MAC OSX (requires X11) and Windows (requires CYGWIN).
The name of the program stands for Crystalline Structures and Densities and X because it runs under the X-Window environment.

   

         (1)  ./xcrysden 

+-----------------------------------------------------------------+
|*****************************************************************|
|*                                                               *|
|*  XCrySDen -- (X-Window) CRYstalline Structures and DENsities  *|
|*               =         ===         =              ===        *|
|*---------------------------------------------------------------*|
|*                                                               *|
|*    Anton Kokalj (tone.kokalj@ijs.si)                          *|
|*    Jozef Stefan Institute, Ljubljana, Slovenia                *|
|*                                                               *|
|*    Copyright (c) 1996--2014 by Anton Kokalj                   *|
|*                                                               *|
|*****************************************************************|
+-----------------------------------------------------------------+

  Version: 1.5.60
  Please report bugs to: tone.kokalj@ijs.si
  TERMS OF USE:
  -------------
  XCRYSDEN is released under the GNU General Public License.
  Whenever graphics generated by XCRYSDEN are used in scientific
  publications, it shall be greatly appreciated to include an explicit
  reference. The preferred form is the following:

  [ref] A. Kokalj, J. Mol. Graph. Model., Vol. 17, pp. 176-179, 1999.
        Code available from http://www.xcrysden.org/.

TCL_LIBRARY=/home/hongyz/xcrySden/xcrysden-1.5.60/external/lib/tcl8.5
XCRYSDEN_TOPDIR=/home/hongyz/xcrySden/xcrysden-1.5.60
XCRYSDEN_SCRATCH=/tmp

*** cleaning XCRYSDEN_SCRATCH directory: /tmp/xc_10065
Running on platform : unix
   Operating system : Linux
Package ImageMagick's convert: /usr/bin/convert
Package ImageMagick's import: /usr/bin/import
Package Xwd: /usr/bin/xwd
Executing: /home/hongyz/xcrySden/xcrysden-1.5.60/bin/ftnunit

       

        (2)  v2xsf

              http://theory.chm.tu-dresden.de/~jk/software.html

v2xsf is a command line tool that converts structural output data generated by the VASP code (crystal structure, charge density, electron localization function (ELF) and local potential) to a format that can be read by the program XCrysDen.
In detail it is able to read POSCAR, CONTCAR, CHGCAR, CHG and silmilar files and converts the information given to a xsf-file, the XCrysDen file format. The output file is compressed using gzip.

XcrysDen is a crystalline and molecular structure visualisation program, which aims at display of isosurfaces and contours, which can be superimposed on crystalline structures and interactively rotated and manipulated. It can run on most UNIX platforms, without any special hardware requirements. If you'd like to use XcrysDen to visualize VASP output, then you'll probably want to check out v2xsf: a command line tool that converts structural output data generated by VASP (crystal structure, charge density, electron localization function, and local potential) to a format that can be read by XCrysDen.

 

     (3)  HOWTO

     http://www.xcrysden.org/doc/HOWTO.html

XCrySDen's HOWTO

• General HOWTO:

  • Modify-menu HOWTO
     
  • Measuring distances, angles, and dihedrals HOWTO
     
  • K-point selection HOWTO
     
  • Printing HOWTO
     
  • Animations HOWTO (MPEG and animated-GIF movies)
     
  • Customizing XCrySDen HOWTO
     

• Scalar and vector fields HOWTO:

  • DataGrid: Charge density (or Scalar Field) HOWTO
     
    • Isosurface HOWTO
       
    • Contour HOWTO
       
  • Vector field HOWTO
     

• Advanced HOWTO:

  • XCrySDen's scripting HOWTO
    

 Please click blue part,and then come into the corresponding web to learn more about detailed  procedures.

Good luck!

 

References:

【1】Is there any visualization software for the VASP program? http://www.researchgate.net/post/Is_there_any_visualization_software_for_the_VASP_program

【2】Visualisation (& Building)：https://www.vasp.at/index.php/resources

【3】Condensed Matter: My Perspective：http://condmattphys.weebly.com/vasp.html