[ase-users] Cutting tdirections hrough a bulk cubic unit cell to get 111 surface and Orthorombic cell

[Isabela Man]

I have figured out.
Thanks
Isabela

On Wed, Sep 5, 2012 at 10:57 AM, Mohammedreza Karamad <moka at fysik.dtu.dk>wrote:

> Hi Isabela,
>
> Yo should check that all 3 directions are perpendicular to each other. For
> example, b = [x2,y2,z2], c = [x3,y3,z3] should be perpendicular to each
> other as well as to 111.
>
> Bests,
> Reza.
>
>
>
>
> ________________________________________
> From: ase-users-bounces at listserv.fysik.dtu.dk [
> ase-users-bounces at listserv.fysik.dtu.dk] On Behalf Of Isabela Man [
> isabelac.man at gmail.com]
> Sent: Tuesday, September 04, 2012 6:34 PM
> To: ase-users
> Subject: [ase-users] Cutting tdirections hrough a bulk cubic unit cell to
> get 111 surface and Orthorombic cell
>
> Dear all,
> Because it might be faster to ask like this.
> I want to cut through a cubic unit cell (oxide) such as to get the 111
> surface. If anyone could help me with the directions I should cut
> through, such as to get an ORTHOROMBIC cell I would be very thankfull.
> I am using the command : slab = cut(bulk, a = [x1,y1,z1], b =
> [x2,y2,z2], c = [x3,y3,z3])
> Thank you in advance
> Isabela Man
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