[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
>>
>>
>>
>> _______________________________________________
>> XCrySDen mailing list
>> XCrySDen at democritos.it
>> http://www.democritos.it/mailman/listinfo/xcrysden
> _______________________________________________
> XCrySDen mailing list
> XCrySDen at democritos.it
> http://www.democritos.it/mailman/listinfo/xcrysden
More information about the XCrySDen
mailing list