The VNL "Interface Builder" would make it very easy for you to build a minimum-strain interface:

http://docs.quantumwise.com/tutorials/ag_au_interface/ag_au_interface.html


On 09/21/2016 03:04 PM, Lorenzo Paulatto wrote:
Dear Lorenzo,
you cannot specify different periodicity, you have to build a super-cell, as big as the 3x3 cell of the first material, or the 2x2 cell of the second, then you fill it with 9 units of the first material and 4 of the other. This can be done by hand (the first time it'll take you an hour or two), or there are some softwares that can help you I have never used one, as hence I cannot recommend any.


On 21 September 2016 at 14:46, Lorenzo Pedrazzetti <lorenzo.pedrazze...@polimi.it <mailto:lorenzo.pedrazze...@polimi.it>> wrote:

    Good afternoon,

    I am trying to model the interface between two solid with
    different cella parameter. By looking at their experimental cell
    value I am supposed to stack a 3x3 slab onto a 2x2 slab made of
    different material.

    My problemi s the “CELL_PARAMETERS” card; i found some
    difficulties to understand how to specify the different
    periodicity of the two materials.

    Thanks a lot,

    Lorenzo.


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