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xcrysden [2014/05/21 11:41] danielxcrysden [2014/05/21 11:42] daniel
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 Wien2k interfaces with XCrySDen to graph crystal structures, generate k-paths, plot electron density and so on.  For XCrySDen to run, you must be logged in to the wien-server via the xterm and xwinshell (Windows) or via X11 (Mac) **while you are running Wien in the Browser**.  If, despite your being connected to the server via an xterm,  Wien fails to call XCrysDen as you expect and gives a message ' 'X-Windows need to run XCrySDen' ', you must reset the the w2web interface.  (Sometimes, the interaction between the two programs quits without warning.)  Wien2k interfaces with XCrySDen to graph crystal structures, generate k-paths, plot electron density and so on.  For XCrySDen to run, you must be logged in to the wien-server via the xterm and xwinshell (Windows) or via X11 (Mac) **while you are running Wien in the Browser**.  If, despite your being connected to the server via an xterm,  Wien fails to call XCrysDen as you expect and gives a message ' 'X-Windows need to run XCrySDen' ', you must reset the the w2web interface.  (Sometimes, the interaction between the two programs quits without warning.) 
   * Open a terminal to the physics server (should be an X-terminal)   * Open a terminal to the physics server (should be an X-terminal)
-  * List the processes running under your userid using ' 'ps'+  * List the processes running under your userid using ' 'ps -u ph575_nn' ' 
-  * Kill and process called ' 'w2web' '+  * Kill all processes called ' 'w2web'(by entering ''kill xxxx'' where ''xxxx'' is the number listed next to ''w2web'').
   * List the processes again to be certain they're dead, and check that you are **unable** to access Wien2k via your browser.   * List the processes again to be certain they're dead, and check that you are **unable** to access Wien2k via your browser.
   * Run ' 'w2web'   * Run ' 'w2web'

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