[xcrysden] cpo27-zn connectivity problem

Lori 91 lorechimica91 at hotmail.it
Sat May 28 11:44:10 CEST 2016


Thanks for your replay I changed the connectivity factor and I found a partial connectivity but how can I change the connectivity for only one atom for example for Zn??
Thanks a lot to help me 
Dearly
Lorenzo 

Inviato da iPhone

> Il giorno 27 mag 2016, alle ore 21:56, Matic Poberznik <matic.poberznik at gmail.com> ha scritto:
> 
> 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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