[ase-users] Building primitive cell

[Jens Jørgen Mortensen]

On 04/26/2017 12:08 AM, Tristan Maxson via ase-users wrote:
> I implemented this originally so I will go ahead and update the 
> documentation. The module was moved a while back, eventually there 
> might be a gui element for this as well.  Thanks for reporting this 
> problem.

I updated the docs yesterday - and forgot to tell anyone - sorry!

https://wiki.fysik.dtu.dk/ase/dev/ase/build/surface.html#ase.build.root_surface

Jens Jørgen

>
> Thank you,
> Tristan Maxson
>
> On Tue, Apr 25, 2017 at 5:21 PM, utsab via ase-users 
> <ase-users at listserv.fysik.dtu.dk 
> <mailto:ase-users at listserv.fysik.dtu.dk>> wrote:
>
>     Hi Korina,
>
>
>     Thanks for the reply.
>
>
>
>     Regards,
>
>     Utsab
>
>     ------------------------------------------------------------------------
>     *From:* Korina Kuhar <Kokuha at fysik.dtu.dk
>     <mailto:Kokuha at fysik.dtu.dk>>
>     *Sent:* 25 April 2017 14:52:15
>     *To:* Guharoy U Mr (PG/R - Chem. & Proc. Eng.);
>     ase-users at listserv.fysik.dtu.dk
>     <mailto:ase-users at listserv.fysik.dtu.dk>
>     *Subject:* RE: Building primitive cell
>     Hi Utsab,
>
>     For me it works:
>     from ase.build.root import root_surface
>
>     I believe things have been moves around but not documented.
>     Maybe someone could update the example?
>
>
>     Best regards,
>     korina
>
>     Korina Kuhar
>     PhD student
>     DTU Physics
>
>     Technical University of Denmark
>
>     	
>     Department of Physics
>     Fysikvej
>     Building 307
>     2800 Kgs. Lyngby
>     Denmark
>     Direct +45 45253293 <tel:+45%2045%2025%2032%2093>
>     kokuha at fysik.dtu.dk <mailto:kokuha at fysik.dtu.dk>
>     www.fysik.dtu.dk <http://www.fysik.dtu.dk>
>
>     ------------------------------------------------------------------------
>     *From:* ase-users-bounces at listserv.fysik.dtu.dk
>     <mailto:ase-users-bounces at listserv.fysik.dtu.dk>
>     [ase-users-bounces at listserv.fysik.dtu.dk
>     <mailto:ase-users-bounces at listserv.fysik.dtu.dk>] on behalf of
>     utsab via ase-users [ase-users at listserv.fysik.dtu.dk
>     <mailto:ase-users at listserv.fysik.dtu.dk>]
>     *Sent:* Tuesday, April 25, 2017 2:40 PM
>     *To:* ase-users at listserv.fysik.dtu.dk
>     <mailto:ase-users at listserv.fysik.dtu.dk>
>     *Subject:* [ase-users] Building primitive cell
>
>     Dear All,
>
>
>     I am a beginner in ASE. I actually want to build a (3x3)  3
>     layer primitive cell for
>
>     Ni 111 surface. I was trying to run the example of Ag given under
>     root _surface
>
>     building primitive cell, but I am getting the following error;
>
>     from ase.lattice.root import root_surface
>     ImportError: No module named root
>
>     I will be very grateful for any suggestions!
>
>     With best regards,
>
>     Utsab Guharoy
>     PhD student
>     University of Surrey, U.K
>
>
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