[xcrysden] cpo27-zn connectivity problem

[Matic Poberznik]

Sorry, but I don't quite understand what you mean; on the left side in
the Atomic Radii panel there should be a list of atoms, you just choose
the atom you want to modify from there. Alternatively in the
~/.xcrysden/custom-definitions file for Zn (with atomic number 30) you
just add a line :

set atmRad(30) X.X

where X.X is the number for which you get appropriate connections; this
will ensure that the covalent and display radius are updated on startup
(i.e. that you don't have to manually set it every time you restart
xcrysden)

Best,

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

On 05/28/2016 11:44 AM, Lori 91 wrote:
> 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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