[ase-users] Bulk Silicon Script

[Jakob Schiotz]

On Wednesday 14 January 2009, Burak Cankurtaran wrote:
> Hi,
>
> Has anyone have a script to generate bulk silicon?
>
> Thanks
> Burak

The ase.lattice.cubic module contains a function, Diamond, that sets up a 
diamond lattice.  Try

>>> from ase import *
>>> from ase.lattice.cubic import *
>>> a = Diamond(size=(2,2,2), symbol="Si")
>>> view(a)
>>>

See also https://wiki.fysik.dtu.dk/ase/ase/lattice.html#module-lattice


/Jakob


-- 
Jakob Schiotz, Ph.D., Associate professor (lektor)
CINF, Department of Physics
Technical University of Denmark
DK-2800 Kongens Lyngby, Denmark
http://www.cinf.dtu.dk/~schiotz/