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

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

Xcrysden-2的更多相关文章

随机推荐

  1. display:inline block inline-block 的区别

    原文地址:http://blog.csdn.net/jly036/article/details/5506182 display:block就是将元素显示为块级元素. block元素的特点是: 总是在 ...

  2. [UE4GamePlay架构(九)GameInstance(转)

    GameInstance这个类可以跨关卡存在,它不会因为切换关卡或者切换游戏模式而被销毁.然而,GameMode和PlayController就会再切换关卡或者游戏模式时被引擎销毁重置,这样他们里面的 ...

  3. 最小化Linux系统安装

    安装CentOS 5.9 基于vbox虚拟机,虚拟机内存1 G,虚拟硬盘大小8 G 虚拟网卡使用host only方式 创建卷组centos 独立的boot分区 home, root和swap分区皆是 ...

  4. Scrapy爬取人人网

    Scrapy发送Post请求 防止爬虫被反主要有以下几个策略 动态设置User-Agent(随机切换User-Agent,模拟不同用户的浏览器信息) 禁用Cookies(也就是不启用cookies m ...

  5. html 更新

    HTML介绍 Web服务本质 import socket sk = socket.socket() sk.bind(("127.0.0.1", 8080)) sk.listen(5 ...

  6. 在CentOS7.4中安装jdk的几种方法及配置环境变量

    在CentOS7.4中安装jdk的几种方法及配置环境变量 一.下载jdk jdk下载地址:http://www.oracle.com/technetwork/java/javase/downloads ...

  7. python高亮显示输出

    知识内容: 1.高亮输出语法 2.高亮输出实例 前言: 在做购物车这道题时遇到了高亮显示输出某些内容的需求,于是就学了一下这方面的知识,以下是python高亮显示输出的使用方法: 购物车链接:  ht ...

  8. python补充2

    一 关于类中的self以及继承问题 请看下面一段代码 class Base: def f1(self): self.f2() def f2(self): print('...') class Foo( ...

  9. uva146-枚举,排列

    题意: 输入最多150个小写字母,在字典序增大的方向,求下一个排列是什么. 模拟枚举,最后一个字符是递归的最后一层(n层),那么把它弹出栈(还剩n-1层),如果n-1层的字符比第n层小,说明把n层的字 ...

  10. Dark theme for Texstudio - TeX - LaTeX

    Dark theme for Texstudio ~~~  1.window系统如下操作 ~~~ 1. texstudio的配置文件texstudio 的配置文件在~/.config/texstudi ...