[xcrysden] Charge Difference Maps for CO/Pt vs CO/Ru

[Tone Kokalj]

On Fri, 2013-03-08 at 20:36 -0600, Nicholas Dimakis wrote:
> Hello
> 
> 
> I am trying to plot Charge Difference Maps for CO/Pt vs CO/Ru using
> xcrysden. The calculations are via crystal09. It looks that crystal
> executes the first *map-1.d3 file with no problems but the *map-2.d3
> gives an error as "error reading unit 25". I found out that the
> problem has to do by editing the second script and changing anything
> in section COORDINA. Also fort.25.A and fort.25.B are generated in the
> tmp location.

It is difficult to say what is the problem. If your system is not too
big and the fort.9 is not too large, try to send the fort.9 file to my
email, with the sufficient description that I may reproduce the error.

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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