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

[Mohammedreza Karamad]

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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