The limit for the number of atoms in "basis_pos_crys"

[张云]

Dear Dr. Indrajit,

Hello, I have recently been studying the construction of heterostructures using Twister. The structure I am testing is graphene and Cr2Ge2Te6. After finding the appropriate angle and supercell basis vectors, I cannot read in the atoms of Cr2Ge2Te6 when creating the supercell with twister.py. I would like to ask if there is a limit on the number of atoms in Twister?

Best regards.

[Indrajit Maity]

Hi Sylar,

I'm not entirely sure why you're unable to find all the atoms within the heterostructure simulation cell. Could you please provide more details, such as what you've attempted, where you're stuck, and the message the code is printing?

Best wishes,
Indrajit

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