[ase-users] How to create sqrt surfaces

Punit Kumar ip.punit.2016 at gmail.com
Wed Jan 22 19:59:47 CET 2020


Dear ase-users

I want to create sqrt surfaces of materials using the 'cut' function of the
'build' module of ase. I have found an earlier post regarding the same
question on ase forum (link given below)

https://listserv.fysik.dtu.dk/pipermail/ase-users/2017-June/003760.html

In that reply for creating sqrt(3) x sqrt(3) R30 surface of Pt(111),
lattice vectors are needed. Since this is the first time I'm making such
surfaces I have no idea how to calculate those lattice vectors.
Can someone help me out how to calculate those lattice vectors? Any help is
highly appreciated.

Thanks and regards
Punit
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