[ase-users] Boron Nitride nanotubes

[marc]

Works perfectly, thanks.
Since it is so easy, it should be straightforward to implement it in the 
actual routine (at least with two chemical species).

Marc

On 12/05/2017 02:42 PM, Jens Jørgen Mortensen wrote:
> Den 05-12-2017 kl. 14:18 skrev marc via ase-users:
>> Dear ASE users,
>>
>> I would like to performs some calculations for Boron Nitride 
>> nanotube, but in the documentation, I see that the nanotube routine 
>> from ase.build takes only one symbol as atomic specie. Is it possible 
>> to generate geometries with two symbols with this routine or should I 
>> write it?
>
> Yes, such a function would be quite useful.  Alternatively, you can 
> build a Boron tube and then do
>
>     tube.numbers[::2] = 7
>
> Jens Jørgen
>
>>
>> Thanks in advance,
>> Marc
>> _______________________________________________
>> ase-users mailing list
>> ase-users at listserv.fysik.dtu.dk
>> https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
>