Then one of the 3 acustic branches ( probably the one you gave problems
with ) should be flat.
I don't know how this phononpy works, maybe there is a way to deal
directly with 2D systems, otherwise just find a way to set to 0 all the
interatomic force constants that correspond to interactions between
atoms staying in different periodic images of the slab.
pietro
On 05/12/2016 09:33, Mohammed Ghadiyali wrote:
Hi,
The structure is two dimensional similar to bi-layer graphene.
Regards,
Ghadiyali Mohammed Kader
Research Scholar
University of Mumbai.
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