[Pw_forum] xcrysden visualization

[Tone Kokalj]

On Mon, 2014-03-17 at 17:23 +0530, mayank gupta wrote:
> Dear users
> 
> I am not able to visualize the crystal structure with ibrav=-12 flag.

This is correct; ibrav=-12 is not yet supported by xcrysden.

>  Please suggest the possible alternatives. 

Here is the trick how you can still see the pertinent structure with
xcrysden:

1. generate your input file

2. run pw.x on this input file for, say, only a few seconds, so that the
initial coordinates are written to output file, i.e.:

pw.x < file.in > file.out
(press Control-C after a few seconds)

3. visualize the "Initial Coordinates" from this input file, i.e.:

xcrysden --pwo file.out

Regards,

-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

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