I’m trying to use Avogadro’s slab builder tool to generate a 2x2 Anatase 101 surface with a height of 40 A. When I click “build” the program begins to run, but begins to hang at this point and the OS considers the program as unresponsive. The process eventually returns, but produces a very strange structure: see screenshot. Note that the z-axis of this structure is 320A.
Avogadro version: 1.2.0
Operating system and version: Ubuntu 18.04.2
Production of a 2x2 surface slab
Eventual production of erroneous structure.
Steps to Reproduce
Import TiO2-anatase.cif structure.
Miller indices: 1 0 1
width: 2 x 2 cell repeats