[xcrysden] cpo27-zn connectivity problem

Matic Poberznik matic.poberznik at gmail.com
Fri May 27 21:56:29 CEST 2016


Dear Lorenzo,

Use the dropdown menu under Modify=>Atomic radius (or Shift+R), the
Chemical connectivity factor and covalent radius can be modified there.
You can also add a line to ~/.xcrysden/custom-definitions:

Example:

set atmRad(13) 1.6

where 13 is the atomic number of the element you want to modifiy, more
inforamtion is available here:

http://www.xcrysden.org/doc/custom.html

Hope this helps,

Best Regards,

Matic Poberznik
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia

On 05/27/2016 04:33 PM, Lorenzo Donà wrote:
> Dear all
> I have done a pw.x calculation of cpo27zn when i open the output with xcrysden i am not able to see the connectivity among atoms.
> Please can you help me to solve this problem?
> I attached the output of my calculation.
> 
> 
> 
> 
> Thanks a lot.
> dearly 
> lorenzo
> 
> 
> 
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