[xcrysden] Error reading Quantum Espresso(pw.x) output

Jonathan Saboury jsabou1 at gmail.com
Wed Oct 16 17:50:41 CEST 2013


I have this file: Si.sample.out: http://pastebin.com/raw.php?i=YcgFP2Uy

and used this command to read it: xcrysden --pwo Si.sample.out

I chose do not reduce dimensionally
I chose display all coordinates as an animation

Pops up: "NOTIFICATION: Specified file pwo2xsf.xsf.raw seems to be an
ordinary XSF file !!!"

I pressed ok.

Pops up: "ERROR: an error occured while trying to update a structure; Error
reading file /tmp/xc_1130/xc_struc.1130."

I pressed ok.

Program quits.

Any idea what I am doing wrong? Thank you :)
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