[Pw_forum] not able to visualize the optimized coordinate of the output file with xcrysden

[Gabriele Sclauzero]

Please redirect the question to the xcrysden forum.

Il giorno 16/feb/2011, alle ore 10.38, vicky singh ha scritto:

> Dear friends
> I want to visualize the optimized coordinate or latest coordinate of the output file for pw.x with xcrysden but it gives an error. 
> 
> For optimized coordinate error is
> ERROR: While executing exec sh
> /home/XCrySDen-1.4.1bin-static/scripts/pwo2xsf.sh -optcoor

Try to update to the latest version

XCrySDen/1.5.17-bin/xcrysden


> 
> for latest coordinate the error is 
> Error: ERROR: wrong number of fields (6) in atomic coordinates, should be 4 or 7.

How do your final coordinates look like in the the PWscf output file? Have you had a look inside?


GS

> 
> Thanks in advance
> 
> vicky singh 
> research student Bangalore
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§ Gabriele Sclauzero, EPFL SB ITP CSEA
   PH H2 462, Station 3, CH-1015 Lausanne

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