[ase-users] Boron Nitride nanotubes

[Jens Jørgen Mortensen]

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