[Pw_forum] xcrysden problem

[Giovanni Cantele]

if you read the error message, you can easily figure out that xcrysden is looking for an input file named “pwi” instead of
si.scf.in.

Indeed, if you look to the terminal line you included in your message, you specified “— pwi” instead of “—pwi”, so the blank
space left after “—“ let xcrysden think that the first argument, pwi, is the file to look for!

Giovanni


> On 19 Feb 2015, at 11:36, TIMOTHY UTO <timuto at yahoo.com> wrote:
> 
> 
> 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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> 

-- 

Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
e-mail: giovanni.cantele at spin.cnr.it
Phone: +39 081 676910
Skype contact: giocan74

ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.na.infn.it/~cantele