[ase-users] Repeat cell

[Iyemperumal, Satish Kumar]

Hello all ASE users

I want to repeat my hexagonal surface slab by 2(in x), 2 (in y) and no repeat in z axis. How can I repeat the unit cell from python commands such that I could measure the bond distances across the neighboring unit cells.

I tried
1) s = cut(struct,extend=1.1)      #struct is my atoms object. Used extend=1.1 so that I could include the missing bonds beyond my unit cell. But I get the following error

AttributeError: 'numpy.ndarray' object has no attribute 'step'

2) I tried the repeat method as given in the follwoing link
https://wiki.fysik.dtu.dk/ase/epydoc/ase.test.repeat_FixAtoms-pysrc.htmlhttps://wiki.fysik.dtu.dk/ase/epydoc/ase.test.repeat_FixAtoms-pysrc.html

I am able to repeat the structures but I don't know why there is extra vacuum in between the images in x and y direction (refer attachment).

Thank you for you time.



Best,
Satish
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