Hi,
I was trying to build a 2 layer slab of 101 surface of TiO2 anatase crystal
with avogadro.
First I tried to make a supercell (111) from the unit cell of TiO2 anatase.
Then made the surface 101.
After I make the slab, the cell parameter "C" along Z-direction is
unusually large close to 100 angstrom, even though I give a depth of 12
angstrom.
One someone suggest me to to overcome this problem?
Thanks
Rupa
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