[Pw_forum] mixed supercells

Lorenzo Pedrazzetti lorenzo.pedrazzetti at polimi.it
Wed Sep 21 14:46:09 CEST 2016

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,
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160921/4d2ae78f/attachment.html>

More information about the users mailing list