[ase-users] Building primitive cell

u.guharoy at surrey.ac.uk u.guharoy at surrey.ac.uk
Tue Apr 25 14:40:08 CEST 2017


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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