[Pw_forum] xcrysden problem

TIMOTHY UTO timuto at yahoo.com
Thu Feb 19 11:36:20 CET 2015


please i was trying to visualize my structures from both the input and out file by using 
xcrysden --pwi si.scf.in
it gave me this message

ERROR: file "/home /timuto/espresso-5.1.1/my examples/espresso v5/silicon/pwi." does not exits !!!

it then displaced this on the terminal 

[timuto at localhost silicon]$ xcrysden -- pwi si.scf.in

+----------------------------------------------------------------+
|****************************************************************|
|*                                                              *|
|*  XCrySDen - (X-Window) CRYstalline Structures and DENsities  *|
|*              =         ===         =              ===        *|
|*--------------------------------------------------------------*|
|*                                                              *|
|*    Anton Kokalj (Tone.Kokalj at ijs.si)                         *|
|*    Jozef Stefan Institute, Ljubljana, Slovenia               *|
|*                                                              *|
|*    Copyright (c) 1996--2004 by Anton Kokalj                  *|
|*                                                              *|
|****************************************************************|
+----------------------------------------------------------------+

  Version: 1.5.17

  Please report bugs to: Tone.Kokalj at 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, Comp. Mater. Sci., Vol. 28, p. 155, 2003.
        Code available from http://www.xcrysden.org/.

TCL_LIBRARY=/usr/local/XCrySDen/external/lib/tcl8.5
XCRYSDEN_TOPDIR=/usr/local/XCrySDen
XCRYSDEN_SCRATCH=/tmp

Running on platform: unix
Executing: /usr/local/XCrySDen/bin/ftnunit
/usr/local/XCrySDen/xcrysden: line 252: test: too many arguments

Uto Timothy
UI



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